CAS RN: 69536-60-3
CAS Name: (Z)-7-[(1R,2R,3R,5S)-2-(1,2-dihydroxy-3-oxooctyl)-3,5-dihydroxycyclopentyl]-5-heptenoic acid
OPENEYE Name: (Z)-7-[(1R,2R,3R,5S)-2-(1,2-dihydroxy-3-oxo-octyl)-3,5-dihydroxy-cyclopentyl]hept-5-enoic acid
IUPAC Name: (Z)-7-[(1R,2R,3R,5S)-2-(1,2-dihydroxy-3-oxooctyl)-3,5-dihydroxycyclopentyl]hept-5-enoic acid
SYSTEMATIC NAME: (Z)-7-[(1R,2R,3R,5S)-2-[1,2-bis(oxidanyl)-3-oxidanylidene-octyl]-3,5-bis(oxidanyl)cyclopentyl]hept-5-enoic acid
MOLECULAR FORMULA: C20H34O7
MOLECULAR WEIGHT: 386.47976
SMILES: CCCCCC(=O)C(C([C@H]1[C@@H](C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)O)O)O)O
Structure:
CAS RN: 68748-55-0
CAS Name: acetic acid [4-[(E)-3-[(2-hydroxy-5-oxo-1-cyclopentenyl)amino]-3-oxoprop-1-enyl]-2,3-dihydrofuran-2-yl] ester
OPENEYE Name: [4-[(E)-3-[(2-hydroxy-5-oxo-cyclopenten-1-yl)amino]-3-oxo-prop-1-enyl]-2,3-dihydrofuran-2-yl] acetate
IUPAC Name: [4-[(E)-3-[(2-hydroxy-5-oxocyclopenten-1-yl)amino]-3-oxoprop-1-enyl]-2,3-dihydrofuran-2-yl] acetate
SYSTEMATIC NAME: [4-[(E)-3-oxidanylidene-3-[(2-oxidanyl-5-oxidanylidene-cyclopenten-1-yl)amino]prop-1-enyl]-2,3-dihydrofuran-2-yl] ethanoate
MOLECULAR FORMULA: C14H15NO6
MOLECULAR WEIGHT: 293.272
SMILES: CC(=O)OC1CC(=CO1)/C=C/C(=O)NC2=C(CCC2=O)O
Structure:
CAS RN: 79303-68-7
CAS Name: acetic acid [4-[(E)-3-[(2-hydroxy-5-oxo-1-cyclopentenyl)amino]-3-oxoprop-1-enyl]-2,3-dihydrofuran-2-yl] ester
OPENEYE Name: [4-[(E)-3-[(2-hydroxy-5-oxo-cyclopenten-1-yl)amino]-3-oxo-prop-1-enyl]-2,3-dihydrofuran-2-yl] acetate
IUPAC Name: [4-[(E)-3-[(2-hydroxy-5-oxocyclopenten-1-yl)amino]-3-oxoprop-1-enyl]-2,3-dihydrofuran-2-yl] acetate
SYSTEMATIC NAME: [4-[(E)-3-oxidanylidene-3-[(2-oxidanyl-5-oxidanylidene-cyclopenten-1-yl)amino]prop-1-enyl]-2,3-dihydrofuran-2-yl] ethanoate
MOLECULAR FORMULA: C14H15NO6
MOLECULAR WEIGHT: 293.272
SMILES: CC(=O)OC1CC(=CO1)/C=C/C(=O)NC2=C(CCC2=O)O
Structure:
CAS RN: 68666-91-1
CAS Name: (Z)-7-[(1R,2R,3R)-2-[(E)-4-ethenyl-4-hydroxyoct-1-enyl]-3-hydroxy-5-oxocyclopentyl]-5-heptenoic acid
OPENEYE Name: (Z)-7-[(1R,2R,3R)-3-hydroxy-2-[(E)-4-hydroxy-4-vinyl-oct-1-enyl]-5-oxo-cyclopentyl]hept-5-enoic acid
IUPAC Name: (Z)-7-[(1R,2R,3R)-2-[(E)-4-ethenyl-4-hydroxyoct-1-enyl]-3-hydroxy-5-oxocyclopentyl]hept-5-enoic acid
SYSTEMATIC NAME: (Z)-7-[(1R,2R,3R)-2-[(E)-4-ethenyl-4-oxidanyl-oct-1-enyl]-3-oxidanyl-5-oxidanylidene-cyclopentyl]hept-5-enoic acid
MOLECULAR FORMULA: C22H34O5
MOLECULAR WEIGHT: 378.50236
SMILES: CCCCC(C/C=C/[C@H]1[C@@H](CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O)(C=C)O
Structure:
CAS RN: 99795-33-2
CAS Name: (Z)-7-[(1R,2R,3R)-2-[(E)-4-ethenyl-4-hydroxyoct-1-enyl]-3-hydroxy-5-oxocyclopentyl]-5-heptenoic acid
OPENEYE Name: (Z)-7-[(1R,2R,3R)-3-hydroxy-2-[(E)-4-hydroxy-4-vinyl-oct-1-enyl]-5-oxo-cyclopentyl]hept-5-enoic acid
IUPAC Name: (Z)-7-[(1R,2R,3R)-2-[(E)-4-ethenyl-4-hydroxyoct-1-enyl]-3-hydroxy-5-oxocyclopentyl]hept-5-enoic acid
SYSTEMATIC NAME: (Z)-7-[(1R,2R,3R)-2-[(E)-4-ethenyl-4-oxidanyl-oct-1-enyl]-3-oxidanyl-5-oxidanylidene-cyclopentyl]hept-5-enoic acid
MOLECULAR FORMULA: C22H34O5
MOLECULAR WEIGHT: 378.50236
SMILES: CCCCC(C/C=C/[C@H]1[C@@H](CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O)(C=C)O
Structure:
CAS RN: 68538-80-7
CAS Name: 7-[(1S,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxy-3-methyloct-1-enyl]-5-oxocyclopentyl]-7-oxoheptanoic acid methyl ester
OPENEYE Name: methyl 7-[(1S,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxy-3-methyl-oct-1-enyl]-5-oxo-cyclopentyl]-7-oxo-heptanoate
IUPAC Name: methyl 7-[(1S,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxy-3-methyloct-1-enyl]-5-oxocyclopentyl]-7-oxoheptanoate
SYSTEMATIC NAME: methyl 7-[(1S,2R,3R)-2-[(E,3S)-3-methyl-3-oxidanyl-oct-1-enyl]-3-oxidanyl-5-oxidanylidene-cyclopentyl]-7-oxidanylidene-heptanoate
MOLECULAR FORMULA: C22H36O6
MOLECULAR WEIGHT: 396.51764
SMILES: CCCCC[C@@](C)(/C=C/[C@H]1[C@@H](CC(=O)[C@@H]1C(=O)CCCCCC(=O)OC)O)O
Structure:
CAS RN: 106466-66-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H24N2O3
MOLECULAR WEIGHT: 340.41616
SMILES: C/C=C/1\CNC2CC3(C4CC1C2CO4)C5=CC=CC=C5N(C3=O)OC
Structure:
CAS RN: 106449-21-2
CAS Name: (2S)-2-[[[4-[(2,4-diamino-6-pteridinyl)methyl-methylamino]phenyl]-oxomethyl]amino]-5-[[(E)-3-[1-[(4S,5R)-4-hydroxy-5-(phosphonooxymethyl)-2-oxolanyl]-2,4-dioxo-5-pyrimidinyl]prop-2-enyl]amino]-5-oxopentanoic acid
OPENEYE Name: (2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methyl-amino]benzoyl]amino]-5-[[(E)-3-[1-[(4S,5R)-4-hydroxy-5-(phosphonooxymethyl)tetrahydrofuran-2-yl]-2,4-dioxo-pyrimidin-5-yl]allyl]amino]-5-oxo-pentanoic acid
IUPAC Name: (2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-5-[[(E)-3-[1-[(4S,5R)-4-hydroxy-5-(phosphonooxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]prop-2-enyl]amino]-5-oxopentanoic acid
SYSTEMATIC NAME: (2S)-2-[[4-[[2,4-bis(azanyl)pteridin-6-yl]methyl-methyl-amino]phenyl]carbonylamino]-5-[[(E)-3-[2,4-bis(oxidanylidene)-1-[(4S,5R)-4-oxidanyl-5-(phosphonooxymethyl)oxolan-2-yl]pyrimidin-5-yl]prop-2-enyl]amino]-5-oxidanylidene-pentanoic acid
MOLECULAR FORMULA: C32H38N11O12P
MOLECULAR WEIGHT: 799.684381
SMILES: CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)NC/C=C/C4=CN(C(=O)NC4=O)C5C[C@@H]([C@H](O5)COP(=O)(O)O)O)C(=O)O
Structure:
CAS RN: 106402-09-9
CAS Name: 2-[2-[(3aS,5R,6R,6aS)-5-hydroxy-6-[(E,3S)-3-hydroxyoct-1-enyl]-1,3a,4,5,6,6a-hexahydropentalen-2-yl]ethoxy]acetic acid
OPENEYE Name: 2-[2-[(3aS,5R,6R,6aS)-5-hydroxy-6-[(E,3S)-3-hydroxyoct-1-enyl]-1,3a,4,5,6,6a-hexahydropentalen-2-yl]ethoxy]acetic acid
IUPAC Name: 2-[2-[(3aS,5R,6R,6aS)-5-hydroxy-6-[(E,3S)-3-hydroxyoct-1-enyl]-1,3a,4,5,6,6a-hexahydropentalen-2-yl]ethoxy]acetic acid
SYSTEMATIC NAME: 2-[2-[(3aS,5R,6R,6aS)-5-oxidanyl-6-[(E,3S)-3-oxidanyloct-1-enyl]-1,3a,4,5,6,6a-hexahydropentalen-2-yl]ethoxy]ethanoic acid
MOLECULAR FORMULA: C20H32O5
MOLECULAR WEIGHT: 352.46508
SMILES: CCCCC[C@@H](/C=C/[C@H]1[C@@H](C[C@H]2[C@@H]1CC(=C2)CCOCC(=O)O)O)O
Structure:
CAS RN: 122087-32-5
CAS Name: (2E,4E,6E,8E)-11,12-dihydroxyeicosa-2,4,6,8-tetraenoic acid
OPENEYE Name: (2E,4E,6E,8E)-11,12-dihydroxyicosa-2,4,6,8-tetraenoic acid
IUPAC Name: (2E,4E,6E,8E)-11,12-dihydroxyicosa-2,4,6,8-tetraenoic acid
SYSTEMATIC NAME: (2E,4E,6E,8E)-11,12-bis(oxidanyl)icosa-2,4,6,8-tetraenoic acid
MOLECULAR FORMULA: C20H32O4
MOLECULAR WEIGHT: 336.46568
SMILES: CCCCCCCCC(C(C/C=C/C=C/C=C/C=C/C(=O)O)O)O
Structure:
CAS RN: 121995-32-2
CAS Name: 4-[(Z)-2-hydroxy-5-methyl-7-(3-methyl-2-oxiranyl)-4-oxooct-6-enyl]piperidine-2,6-dione
OPENEYE Name: 4-[(Z)-2-hydroxy-5-methyl-7-(3-methyloxiran-2-yl)-4-oxo-oct-6-enyl]piperidine-2,6-dione
IUPAC Name: 4-[(Z)-2-hydroxy-5-methyl-7-(3-methyloxiran-2-yl)-4-oxooct-6-enyl]piperidine-2,6-dione
SYSTEMATIC NAME: 4-[(Z)-5-methyl-7-(3-methyloxiran-2-yl)-2-oxidanyl-4-oxidanylidene-oct-6-enyl]piperidine-2,6-dione
MOLECULAR FORMULA: C17H25NO5
MOLECULAR WEIGHT: 323.3841
SMILES: CC1C(O1)/C(=C\C(C)C(=O)CC(CC2CC(=O)NC(=O)C2)O)/C
Structure:
CAS RN: 121981-51-9
CAS Name: (2E,4E)-4,6,10,12-tetramethyl-7-trideca-2,4-dienone
OPENEYE Name: (2E,4E)-4,6,10,12-tetramethyltrideca-2,4-dien-7-one
IUPAC Name: (2E,4E)-4,6,10,12-tetramethyltrideca-2,4-dien-7-one
SYSTEMATIC NAME: (2E,4E)-4,6,10,12-tetramethyltrideca-2,4-dien-7-one
MOLECULAR FORMULA: C17H30O
MOLECULAR WEIGHT: 250.4195
SMILES: C/C=C/C(=C/C(C)C(=O)CCC(C)CC(C)C)/C
Structure:
CAS RN: 121979-39-3
CAS Name: (6E,8Z,10R,11R,12Z)-10,11-dihydroxyoctadeca-6,8,12-trienoic acid
OPENEYE Name: (6E,8Z,10R,11R,12Z)-10,11-dihydroxyoctadeca-6,8,12-trienoic acid
IUPAC Name: (6E,8Z,10R,11R,12Z)-10,11-dihydroxyoctadeca-6,8,12-trienoic acid
SYSTEMATIC NAME: (6E,8Z,10R,11R,12Z)-10,11-bis(oxidanyl)octadeca-6,8,12-trienoic acid
MOLECULAR FORMULA: C18H30O4
MOLECULAR WEIGHT: 310.4284
SMILES: CCCCC/C=C\[C@H]([C@@H](/C=C\C=C\CCCCC(=O)O)O)O
Structure:
CAS RN: 121979-38-2
CAS Name: (5E,8Z,10Z,12R,13R,14Z,17Z)-12,13-dihydroxyeicosa-5,8,10,14,17-pentaenoic acid
OPENEYE Name: (5E,8Z,10Z,12R,13R,14Z,17Z)-12,13-dihydroxyicosa-5,8,10,14,17-pentaenoic acid
IUPAC Name: (5E,8Z,10Z,12R,13R,14Z,17Z)-12,13-dihydroxyicosa-5,8,10,14,17-pentaenoic acid
SYSTEMATIC NAME: (5E,8Z,10Z,12R,13R,14Z,17Z)-12,13-bis(oxidanyl)icosa-5,8,10,14,17-pentaenoic acid
MOLECULAR FORMULA: C20H30O4
MOLECULAR WEIGHT: 334.4498
SMILES: CC/C=C\C/C=C\[C@H]([C@@H](/C=C\C=C/C/C=C/CCCC(=O)O)O)O
Structure:
CAS RN: 121979-37-1
CAS Name: (5E,8Z,10Z,12R,13R,14Z)-12,13-dihydroxyeicosa-5,8,10,14-tetraenoic acid
OPENEYE Name: (5E,8Z,10Z,12R,13R,14Z)-12,13-dihydroxyicosa-5,8,10,14-tetraenoic acid
IUPAC Name: (5E,8Z,10Z,12R,13R,14Z)-12,13-dihydroxyicosa-5,8,10,14-tetraenoic acid
SYSTEMATIC NAME: (5E,8Z,10Z,12R,13R,14Z)-12,13-bis(oxidanyl)icosa-5,8,10,14-tetraenoic acid
MOLECULAR FORMULA: C20H32O4
MOLECULAR WEIGHT: 336.46568
SMILES: CCCCC/C=C\[C@H]([C@@H](/C=C\C=C/C/C=C/CCCC(=O)O)O)O
Structure:
CAS RN: 107373-23-9
CAS Name: (6E,8E,11E,14E)-5,20-dihydroxyeicosa-6,8,11,14-tetraenoic acid
OPENEYE Name: (6E,8E,11E,14E)-5,20-dihydroxyicosa-6,8,11,14-tetraenoic acid
IUPAC Name: (6E,8E,11E,14E)-5,20-dihydroxyicosa-6,8,11,14-tetraenoic acid
SYSTEMATIC NAME: (6E,8E,11E,14E)-5,20-bis(oxidanyl)icosa-6,8,11,14-tetraenoic acid
MOLECULAR FORMULA: C20H32O4
MOLECULAR WEIGHT: 336.46568
SMILES: C(CC/C=C/C/C=C/C/C=C/C=C/C(CCCC(=O)O)O)CCO
Structure:
CAS RN: 121951-69-7
CAS Name: (E)-7-[3-[[3-(4-azido-3-iodophenyl)-2-hydroxypropyl]amino]-6,6-dimethyl-4-bicyclo[3.1.1]heptanyl]-5-heptenoic acid
OPENEYE Name: (E)-7-[3-[[3-(4-azido-3-iodo-phenyl)-2-hydroxy-propyl]amino]-6,6-dimethyl-norpinan-2-yl]hept-5-enoic acid
IUPAC Name: (E)-7-[3-[[3-(4-azido-3-iodophenyl)-2-hydroxypropyl]amino]-6,6-dimethyl-4-bicyclo[3.1.1]heptanyl]hept-5-enoic acid
SYSTEMATIC NAME: (E)-7-[3-[[3-(4-azido-3-iodanyl-phenyl)-2-oxidanyl-propyl]amino]-6,6-dimethyl-4-bicyclo[3.1.1]heptanyl]hept-5-enoic acid
MOLECULAR FORMULA: C25H35IN4O3
MOLECULAR WEIGHT: 566.47487
SMILES: CC1(C2CC1C(C(C2)NCC(CC3=CC(=C(C=C3)N=[N+]=[N-])I)O)C/C=C/CCCC(=O)O)C
Structure:
CAS RN: 121822-29-5
CAS Name: (2S)-1-[[(2S)-1-[1,4-dioxo-5-[[(E)-1-oxo-3-phenylprop-2-enyl]amino]-6-phenylhexyl]-2-pyrrolidinyl]-oxomethyl]-2-pyrrolidinecarboxylic acid
OPENEYE Name: (2S)-1-[(2S)-1-[4-oxo-6-phenyl-5-[[(E)-3-phenylprop-2-enoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
IUPAC Name: (2S)-1-[(2S)-1-[4-oxo-6-phenyl-5-[[(E)-3-phenylprop-2-enoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
SYSTEMATIC NAME: (2S)-1-[(2S)-1-[4-oxidanylidene-6-phenyl-5-[[(E)-3-phenylprop-2-enoyl]amino]hexanoyl]pyrrolidin-2-yl]carbonylpyrrolidine-2-carboxylic acid
MOLECULAR FORMULA: C31H35N3O6
MOLECULAR WEIGHT: 545.6261
SMILES: C1C[C@H](N(C1)C(=O)CCC(=O)C(CC2=CC=CC=C2)NC(=O)/C=C/C3=CC=CC=C3)C(=O)N4CCC[C@H]4C(=O)O
Structure:
CAS RN: 121784-14-3
CAS Name: (E)-16-phenyl-9-hexadecenoic acid ethyl ester
OPENEYE Name: ethyl (E)-16-phenylhexadec-9-enoate
IUPAC Name: ethyl (E)-16-phenylhexadec-9-enoate
SYSTEMATIC NAME: ethyl (E)-16-phenylhexadec-9-enoate
MOLECULAR FORMULA: C24H38O2
MOLECULAR WEIGHT: 358.55732
SMILES: CCOC(=O)CCCCCCC/C=C/CCCCCCC1=CC=CC=C1
Structure:
CAS RN: 107019-95-4
CAS Name: N-[(E)-3-(2-amino-1H-imidazol-5-yl)prop-2-enyl]-4-bromo-1H-pyrrole-2-carboxamide
OPENEYE Name: N-[(E)-3-(2-amino-1H-imidazol-5-yl)allyl]-4-bromo-1H-pyrrole-2-carboxamide
IUPAC Name: N-[(E)-3-(2-amino-1H-imidazol-5-yl)prop-2-enyl]-4-bromo-1H-pyrrole-2-carboxamide
SYSTEMATIC NAME: N-[(E)-3-(2-azanyl-1H-imidazol-5-yl)prop-2-enyl]-4-bromanyl-1H-pyrrole-2-carboxamide
MOLECULAR FORMULA: C11H12BrN5O
MOLECULAR WEIGHT: 310.14988
SMILES: C1=C(NC=C1Br)C(=O)NC/C=C/C2=CN=C(N2)N
Structure:
CAS RN: 121714-76-9
CAS Name: (10S,13R,14R)-17-[(E,2R)-5-ethyl-6-methylhept-3-en-2-yl]-3-hydroxy-10,13-dimethyl-1,2,3,4,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-7-one
OPENEYE Name: (10S,13R,14R)-17-[(E,1R)-4-ethyl-1,5-dimethyl-hex-2-enyl]-3-hydroxy-10,13-dimethyl-1,2,3,4,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-7-one
IUPAC Name: (10S,13R,14R)-17-[(E,2R)-5-ethyl-6-methylhept-3-en-2-yl]-3-hydroxy-10,13-dimethyl-1,2,3,4,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-7-one
SYSTEMATIC NAME: (10S,13R,14R)-17-[(E,2R)-5-ethyl-6-methyl-hept-3-en-2-yl]-10,13-dimethyl-3-oxidanyl-1,2,3,4,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-7-one
MOLECULAR FORMULA: C29H44O2
MOLECULAR WEIGHT: 424.65846
SMILES: CCC(/C=C/[C@@H](C)C1CC[C@@H]2[C@@]1(CCC3=C2C(=O)C=C4[C@@]3(CCC(C4)O)C)C)C(C)C
Structure:
CAS RN: 121714-75-8
CAS Name: (10S,13R,14R,17R)-17-[(E,2R)-5,6-dimethylhept-3-en-2-yl]-3-hydroxy-10,13-dimethyl-1,2,3,4,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-7-one
OPENEYE Name: (10S,13R,14R,17R)-3-hydroxy-10,13-dimethyl-17-[(E,1R)-1,4,5-trimethylhex-2-enyl]-1,2,3,4,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-7-one
IUPAC Name: (10S,13R,14R,17R)-17-[(E,2R)-5,6-dimethylhept-3-en-2-yl]-3-hydroxy-10,13-dimethyl-1,2,3,4,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-7-one
SYSTEMATIC NAME: (10S,13R,14R,17R)-17-[(E,2R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-3-oxidanyl-1,2,3,4,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-7-one
MOLECULAR FORMULA: C28H42O2
MOLECULAR WEIGHT: 410.63188
SMILES: C[C@H](/C=C/C(C)C(C)C)[C@H]1CC[C@@H]2[C@@]1(CCC3=C2C(=O)C=C4[C@@]3(CCC(C4)O)C)C
Structure:
CAS RN: 121714-74-7
CAS Name: (3S,10S,13R,14R,17R)-3-hydroxy-10,13-dimethyl-17-[(E,2R)-6-methylhept-3-en-2-yl]-1,2,3,4,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-7-one
OPENEYE Name: (3S,10S,13R,14R,17R)-17-[(E,1R)-1,5-dimethylhex-2-enyl]-3-hydroxy-10,13-dimethyl-1,2,3,4,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-7-one
IUPAC Name: (3S,10S,13R,14R,17R)-3-hydroxy-10,13-dimethyl-17-[(E,2R)-6-methylhept-3-en-2-yl]-1,2,3,4,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-7-one
SYSTEMATIC NAME: (3S,10S,13R,14R,17R)-10,13-dimethyl-17-[(E,2R)-6-methylhept-3-en-2-yl]-3-oxidanyl-1,2,3,4,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-7-one
MOLECULAR FORMULA: C27H40O2
MOLECULAR WEIGHT: 396.6053
SMILES: C[C@H](/C=C/CC(C)C)[C@H]1CC[C@@H]2[C@@]1(CCC3=C2C(=O)C=C4[C@@]3(CC[C@@H](C4)O)C)C
Structure:
CAS RN: 121700-32-1
CAS Name: (Z)-6-[(1R,2R,3R,4S)-2-[[(4-methylphenyl)sulfonylamino]methyl]-3-bicyclo[2.2.1]heptanyl]-5-hexenoic acid
OPENEYE Name: (Z)-6-[(1S,2R,3R,4R)-3-[(p-tolylsulfonylamino)methyl]norbornan-2-yl]hex-5-enoic acid
IUPAC Name: (Z)-6-[(1R,2R,3R,4S)-2-[[(4-methylphenyl)sulfonylamino]methyl]-3-bicyclo[2.2.1]heptanyl]hex-5-enoic acid
SYSTEMATIC NAME: (Z)-6-[(1R,2R,3R,4S)-2-[[(4-methylphenyl)sulfonylamino]methyl]-3-bicyclo[2.2.1]heptanyl]hex-5-enoic acid
MOLECULAR FORMULA: C21H29NO4S
MOLECULAR WEIGHT: 391.52426
SMILES: CC1=CC=C(C=C1)S(=O)(=O)NC[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2/C=C\CCCC(=O)O
Structure:
CAS RN: 106909-37-9
CAS Name: (E)-2-butenedioic acid; 1-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-(propoxymethyl)phenyl]-1-propanone
OPENEYE Name: fumaric acid; 1-[4-[2-hydroxy-3-(isopropylamino)propoxy]-3-(propoxymethyl)phenyl]propan-1-one
IUPAC Name: (E)-but-2-enedioic acid; 1-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-(propoxymethyl)phenyl]propan-1-one
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 1-[4-[2-oxidanyl-3-(propan-2-ylamino)propoxy]-3-(propoxymethyl)phenyl]propan-1-one
MOLECULAR FORMULA: C42H66N2O12
MOLECULAR WEIGHT: 790.97964
SMILES: CCCOCC1=C(C=CC(=C1)C(=O)CC)OCC(CNC(C)C)O.CCCOCC1=C(C=CC(=C1)C(=O)CC)OCC(CNC(C)C)O.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 121571-14-0
CAS Name: 7-[(1R,2R)-2-[(E,3R)-3-hydroxy-4-phenoxybut-1-enyl]-5-oxocyclopentyl]hepta-4,5-dienoic acid methyl ester
OPENEYE Name: methyl 7-[(1R,2R)-2-[(E,3R)-3-hydroxy-4-phenoxy-but-1-enyl]-5-oxo-cyclopentyl]hepta-4,5-dienoate
IUPAC Name: methyl 7-[(1R,2R)-2-[(E,3R)-3-hydroxy-4-phenoxybut-1-enyl]-5-oxocyclopentyl]hepta-4,5-dienoate
SYSTEMATIC NAME: methyl 7-[(1R,5R)-2-oxidanylidene-5-[(E,3R)-3-oxidanyl-4-phenoxy-but-1-enyl]cyclopentyl]hepta-4,5-dienoate
MOLECULAR FORMULA: C23H28O5
MOLECULAR WEIGHT: 384.46542
SMILES: COC(=O)CCC=C=CC[C@@H]1[C@H](CCC1=O)/C=C/[C@H](COC2=CC=CC=C2)O
Structure:
CAS RN: 121530-42-5
CAS Name: [4-[(E)-1-(2-pyridinyl)-3-(1-pyrrolidinyl)prop-1-enyl]phenyl]methanol
OPENEYE Name: [4-[(E)-1-(2-pyridyl)-3-pyrrolidin-1-yl-prop-1-enyl]phenyl]methanol
IUPAC Name: [4-[(E)-1-pyridin-2-yl-3-pyrrolidin-1-ylprop-1-enyl]phenyl]methanol
SYSTEMATIC NAME: [4-[(E)-1-pyridin-2-yl-3-pyrrolidin-1-yl-prop-1-enyl]phenyl]methanol
MOLECULAR FORMULA: C19H22N2O
MOLECULAR WEIGHT: 294.39078
SMILES: C1CCN(C1)C/C=C(\C2=CC=C(C=C2)CO)/C3=CC=CC=N3
Structure:
CAS RN: 121524-18-3
CAS Name: (E)-1-[(2R)-2-(2-hydroxyethyl)-1-piperidinyl]-3-(2-phenyl-3-pyrazolo[1,5-a]pyridinyl)-2-propen-1-one
OPENEYE Name: (E)-1-[(2R)-2-(2-hydroxyethyl)-1-piperidyl]-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)prop-2-en-1-one
IUPAC Name: (E)-1-[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)prop-2-en-1-one
SYSTEMATIC NAME: (E)-1-[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)prop-2-en-1-one
MOLECULAR FORMULA: C23H25N3O2
MOLECULAR WEIGHT: 375.4635
SMILES: C1CCN([C@H](C1)CCO)C(=O)/C=C/C2=C3C=CC=CN3N=C2C4=CC=CC=C4
Structure:
CAS RN: 121496-68-2
CAS Name: (E)-3-(3,4-dihydroxyphenyl)-2-propenoic acid 2-methylbut-3-en-2-yl ester
OPENEYE Name: 1,1-dimethylallyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
IUPAC Name: 2-methylbut-3-en-2-yl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
SYSTEMATIC NAME: 2-methylbut-3-en-2-yl (E)-3-[3,4-bis(oxidanyl)phenyl]prop-2-enoate
MOLECULAR FORMULA: C14H16O4
MOLECULAR WEIGHT: 248.27444
SMILES: CC(C)(C=C)OC(=O)/C=C/C1=CC(=C(C=C1)O)O
Structure:
CAS RN: 106465-45-6
CAS Name: (E)-3-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)phenyl]-2-propenoic acid
OPENEYE Name: (E)-3-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)phenyl]prop-2-enoic acid
IUPAC Name: (E)-3-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)phenyl]prop-2-enoic acid
SYSTEMATIC NAME: (E)-3-[4-[2,6-bis(oxidanylidene)-1,3-dipropyl-7H-purin-8-yl]phenyl]prop-2-enoic acid
MOLECULAR FORMULA: C20H22N4O4
MOLECULAR WEIGHT: 382.41308
SMILES: CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3=CC=C(C=C3)/C=C/C(=O)O
Structure:
CAS RN: 121496-66-0
CAS Name: (E)-3-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)phenyl]-2-propenoic acid
OPENEYE Name: (E)-3-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)phenyl]prop-2-enoic acid
IUPAC Name: (E)-3-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)phenyl]prop-2-enoic acid
SYSTEMATIC NAME: (E)-3-[4-[2,6-bis(oxidanylidene)-1,3-dipropyl-7H-purin-8-yl]phenyl]prop-2-enoic acid
MOLECULAR FORMULA: C20H22N4O4
MOLECULAR WEIGHT: 382.41308
SMILES: CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3=CC=C(C=C3)/C=C/C(=O)O
Structure:
CAS RN: 121350-98-9
CAS Name: (4R,5S,6S)-6-[(E)-but-2-en-2-yl]-4-hydroxy-3,3,5-trimethyl-2-oxanone
OPENEYE Name: (4R,5S,6S)-4-hydroxy-3,3,5-trimethyl-6-[(E)-1-methylprop-1-enyl]tetrahydropyran-2-one
IUPAC Name: (4R,5S,6S)-6-[(E)-but-2-en-2-yl]-4-hydroxy-3,3,5-trimethyloxan-2-one
SYSTEMATIC NAME: (4R,5S,6S)-6-[(E)-but-2-en-2-yl]-3,3,5-trimethyl-4-oxidanyl-oxan-2-one
MOLECULAR FORMULA: C12H20O3
MOLECULAR WEIGHT: 212.2854
SMILES: C/C=C(\C)/[C@@H]1[C@H]([C@H](C(C(=O)O1)(C)C)O)C
Structure:
CAS RN: 106789-30-4
CAS Name: (4Z)-1-[2-(1,3-dioxolan-2-yl)ethyl]-4-[(E)-3-[1-[2-(1,3-dioxolan-2-yl)ethyl]-4-quinolin-1-iumyl]prop-2-enylidene]quinoline bromide
OPENEYE Name: (4Z)-1-[2-(1,3-dioxolan-2-yl)ethyl]-4-[(E)-3-[1-[2-(1,3-dioxolan-2-yl)ethyl]quinolin-1-ium-4-yl]prop-2-enylidene]quinoline bromide
IUPAC Name: (4Z)-1-[2-(1,3-dioxolan-2-yl)ethyl]-4-[(E)-3-[1-[2-(1,3-dioxolan-2-yl)ethyl]quinolin-1-ium-4-yl]prop-2-enylidene]quinoline bromide
SYSTEMATIC NAME: (4Z)-1-[2-(1,3-dioxolan-2-yl)ethyl]-4-[(E)-3-[1-[2-(1,3-dioxolan-2-yl)ethyl]quinolin-1-ium-4-yl]prop-2-enylidene]quinoline bromide
MOLECULAR FORMULA: C31H33BrN2O4
MOLECULAR WEIGHT: 577.50872
SMILES: C1COC(O1)CCN2C=C/C(=C/C=C/C3=CC=[N+](C4=CC=CC=C34)CCC5OCCO5)/C6=CC=CC=C62.[Br-]
Structure:
CAS RN: 121258-39-7
CAS Name: (2S)-N-[(2S)-3-methyl-1-oxo-2-(propylamino)butyl]-1-[(2S)-1-oxo-2-[[(2S)-1-oxo-2-[[(Z)-1-oxooctadec-9-enyl]amino]propyl]amino]propyl]-2-pyrrolidinecarboxamide
OPENEYE Name: (2S)-N-[(2S)-3-methyl-2-(propylamino)butanoyl]-1-[(2S)-2-[[(2S)-2-[[(Z)-octadec-9-enoyl]amino]propanoyl]amino]propanoyl]pyrrolidine-2-carboxamide
IUPAC Name: (2S)-N-[(2S)-3-methyl-2-(propylamino)butanoyl]-1-[(2S)-2-[[(2S)-2-[[(Z)-octadec-9-enoyl]amino]propanoyl]amino]propanoyl]pyrrolidine-2-carboxamide
SYSTEMATIC NAME: (2S)-N-[(2S)-3-methyl-2-(propylamino)butanoyl]-1-[(2S)-2-[[(2S)-2-[[(Z)-octadec-9-enoyl]amino]propanoyl]amino]propanoyl]pyrrolidine-2-carboxamide
MOLECULAR FORMULA: C37H67N5O5
MOLECULAR WEIGHT: 661.95838
SMILES: CCCCCCCC/C=C\CCCCCCCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NC(=O)[C@H](C(C)C)NCCC
Structure:
CAS RN: 121258-38-6
CAS Name: (2S)-1-[(2S)-2-[[(2S)-2-amino-1-oxopropyl]amino]-1-oxopropyl]-N-[(2S)-3-methyl-1-oxo-1-[[(Z)-1-oxooctadec-9-enyl]amino]butan-2-yl]-2-pyrrolidinecarboxamide
OPENEYE Name: (2S)-1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]-N-[(1S)-2-methyl-1-[[(Z)-octadec-9-enoyl]carbamoyl]propyl]pyrrolidine-2-carboxamide
IUPAC Name: (2S)-1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]-N-[(2S)-3-methyl-1-[[(Z)-octadec-9-enoyl]amino]-1-oxobutan-2-yl]pyrrolidine-2-carboxamide
SYSTEMATIC NAME: (2S)-1-[(2S)-2-[[(2S)-2-azanylpropanoyl]amino]propanoyl]-N-[(2S)-3-methyl-1-[[(Z)-octadec-9-enoyl]amino]-1-oxidanylidene-butan-2-yl]pyrrolidine-2-carboxamide
MOLECULAR FORMULA: C34H61N5O5
MOLECULAR WEIGHT: 619.87864
SMILES: CCCCCCCC/C=C\CCCCCCCC(=O)NC(=O)[C@H](C(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](C)N
Structure:
CAS RN: 121229-92-3
CAS Name: (E)-1-(4-chlorophenyl)-5-(diethylamino)-4,4-dimethyl-1-penten-3-one hydrobromide
OPENEYE Name: (E)-1-(4-chlorophenyl)-5-(diethylamino)-4,4-dimethyl-pent-1-en-3-one hydrobromide
IUPAC Name: (E)-1-(4-chlorophenyl)-5-(diethylamino)-4,4-dimethylpent-1-en-3-one hydrobromide
SYSTEMATIC NAME: (E)-1-(4-chlorophenyl)-5-(diethylamino)-4,4-dimethyl-pent-1-en-3-one hydrobromide
MOLECULAR FORMULA: C17H25BrClNO
MOLECULAR WEIGHT: 374.7435
SMILES: CCN(CC)CC(C)(C)C(=O)/C=C/C1=CC=C(C=C1)Cl.Br
Structure:
CAS RN: 121107-95-7
CAS Name: (2E,4E,6Z)-6,13-dihydroxyoctadeca-2,4,6-trienoic acid
OPENEYE Name: (2E,4E,6Z)-6,13-dihydroxyoctadeca-2,4,6-trienoic acid
IUPAC Name: (2E,4E,6Z)-6,13-dihydroxyoctadeca-2,4,6-trienoic acid
SYSTEMATIC NAME: (2E,4E,6Z)-6,13-bis(oxidanyl)octadeca-2,4,6-trienoic acid
MOLECULAR FORMULA: C18H30O4
MOLECULAR WEIGHT: 310.4284
SMILES: CCCCCC(CCCCC/C=C(/C=C/C=C/C(=O)O)\O)O
Structure:
CAS RN: 121067-53-6
CAS Name: (E)-2-methyl-6-(4-methyl-1-cyclohex-3-enyl)-4-heptene-2,3,6-triol
OPENEYE Name: (E)-2-methyl-6-(4-methylcyclohex-3-en-1-yl)hept-4-ene-2,3,6-triol
IUPAC Name: (E)-2-methyl-6-(4-methylcyclohex-3-en-1-yl)hept-4-ene-2,3,6-triol
SYSTEMATIC NAME: (E)-2-methyl-6-(4-methylcyclohex-3-en-1-yl)hept-4-ene-2,3,6-triol
MOLECULAR FORMULA: C15H26O3
MOLECULAR WEIGHT: 254.36514
SMILES: CC1=CCC(CC1)C(C)(/C=C/C(C(C)(C)O)O)O
Structure:
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