CAS RN: 54141-87-6
CAS Name: (E)-N-[2-(diphenylmethyl)oxyethyl]-N-methyl-3-phenyl-2-propen-1-amine
OPENEYE Name: (E)-N-(2-benzhydryloxyethyl)-N-methyl-3-phenyl-prop-2-en-1-amine
IUPAC Name: (E)-N-(2-benzhydryloxyethyl)-N-methyl-3-phenylprop-2-en-1-amine
SYSTEMATIC NAME: (E)-N-[2-(diphenylmethyl)oxyethyl]-N-methyl-3-phenyl-prop-2-en-1-amine
MOLECULAR FORMULA: C25H27NO
MOLECULAR WEIGHT: 357.48798
SMILES: CN(CCOC(C1=CC=CC=C1)C2=CC=CC=C2)C/C=C/C3=CC=CC=C3
Structure:
CAS RN: 54063-23-9
CAS Name: 2-[4-[(E)-1-oxo-3-(3,4,5-trimethoxyphenyl)prop-2-enyl]-1-piperazinyl]acetic acid
OPENEYE Name: 2-[4-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]piperazin-1-yl]acetic acid
IUPAC Name: 2-[4-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]piperazin-1-yl]acetic acid
SYSTEMATIC NAME: 2-[4-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]piperazin-1-yl]ethanoic acid
MOLECULAR FORMULA: C18H24N2O6
MOLECULAR WEIGHT: 364.39296
SMILES: COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)N2CCN(CC2)CC(=O)O
Structure:
CAS RN: 62380-23-8
CAS Name: (E)-3-(3,4,5-trimethoxyphenyl)-2-propenoic acid [1-[4-methyl-7-[[4-morpholinyl(oxo)methyl]amino]-2-oxo-1-benzopyran-3-yl]-3-(4-morpholinyl)propan-2-yl] ester
OPENEYE Name: [1-[[4-methyl-7-(morpholine-4-carbonylamino)-2-oxo-chromen-3-yl]methyl]-2-morpholino-ethyl] (E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate
IUPAC Name: [1-[4-methyl-7-(morpholine-4-carbonylamino)-2-oxochromen-3-yl]-3-morpholin-4-ylpropan-2-yl] (E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate
SYSTEMATIC NAME: [1-[4-methyl-7-(morpholin-4-ylcarbonylamino)-2-oxidanylidene-chromen-3-yl]-3-morpholin-4-yl-propan-2-yl] (E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate
MOLECULAR FORMULA: C34H41N3O10
MOLECULAR WEIGHT: 651.70344
SMILES: CC1=C(C(=O)OC2=C1C=CC(=C2)NC(=O)N3CCOCC3)CC(CN4CCOCC4)OC(=O)/C=C/C5=CC(=C(C(=C5)OC)OC)OC
Structure:
CAS RN: 39099-98-4
CAS Name: (E)-3-[2-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]-2-propenoic acid methyl ester
OPENEYE Name: methyl (E)-3-[2-[2-hydroxy-3-(isopropylamino)propoxy]phenyl]prop-2-enoate
IUPAC Name: methyl (E)-3-[2-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]prop-2-enoate
SYSTEMATIC NAME: methyl (E)-3-[2-[2-oxidanyl-3-(propan-2-ylamino)propoxy]phenyl]prop-2-enoate
MOLECULAR FORMULA: C16H23NO4
MOLECULAR WEIGHT: 293.35812
SMILES: CC(C)NCC(COC1=CC=CC=C1/C=C/C(=O)OC)O
Structure:
CAS RN: 173157-46-5
CAS Name: (2E,4E,6E)-7-[3-(1-adamantyl)-4-methoxyphenyl]octa-2,4,6-trienoic acid
OPENEYE Name: (2E,4E,6E)-7-[3-(1-adamantyl)-4-methoxy-phenyl]octa-2,4,6-trienoic acid
IUPAC Name: (2E,4E,6E)-7-[3-(1-adamantyl)-4-methoxyphenyl]octa-2,4,6-trienoic acid
SYSTEMATIC NAME: (2E,4E,6E)-7-[3-(1-adamantyl)-4-methoxy-phenyl]octa-2,4,6-trienoic acid
MOLECULAR FORMULA: C25H30O3
MOLECULAR WEIGHT: 378.5039
SMILES: C/C(=C\C=C\C=C\C(=O)O)/C1=CC(=C(C=C1)OC)C23CC4CC(C2)CC(C4)C3
Structure:
CAS RN: 66474-36-0
CAS Name: (6R,7R)-7-[[2-[[(Z)-2-cyanoethenyl]thio]-1-oxoethyl]amino]-3-[[(1-methyl-5-tetrazolyl)thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
OPENEYE Name: (6R,7R)-7-[[2-[(Z)-2-cyanovinyl]sulfanylacetyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
IUPAC Name: (6R,7R)-7-[[2-[(Z)-2-cyanoethenyl]sulfanylacetyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
SYSTEMATIC NAME: (6R,7R)-7-[2-[(Z)-2-cyanoethenyl]sulfanylethanoylamino]-3-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
MOLECULAR FORMULA: C15H15N7O4S3
MOLECULAR WEIGHT: 453.5191
SMILES: CN1C(=NN=N1)SCC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)CS/C=C\C#N)SC2)C(=O)O
Structure:
CAS RN: 55511-14-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C30H46O3
MOLECULAR WEIGHT: 454.68444
SMILES: C[C@H](CC/C=C(/C)\C(=O)O)[C@H]1CC[C@@]2([C@@]1(CCC34[C@H]2CCC5C3(C4)CCC(=O)C5(C)C)C)C
Structure:
CAS RN: 55123-68-7
CAS Name: (Z)-7-[(1R,2R,3R)-2-[(E,3S)-3,7-dihydroxyoct-1-enyl]-3-hydroxy-5-oxocyclopentyl]-5-heptenoic acid
OPENEYE Name: (Z)-7-[(1R,2R,3R)-2-[(E,3S)-3,7-dihydroxyoct-1-enyl]-3-hydroxy-5-oxo-cyclopentyl]hept-5-enoic acid
IUPAC Name: (Z)-7-[(1R,2R,3R)-2-[(E,3S)-3,7-dihydroxyoct-1-enyl]-3-hydroxy-5-oxocyclopentyl]hept-5-enoic acid
SYSTEMATIC NAME: (Z)-7-[(1R,2R,3R)-2-[(E,3S)-3,7-bis(oxidanyl)oct-1-enyl]-3-oxidanyl-5-oxidanylidene-cyclopentyl]hept-5-enoic acid
MOLECULAR FORMULA: C20H32O6
MOLECULAR WEIGHT: 368.46448
SMILES: CC(CCC[C@@H](/C=C/[C@H]1[C@@H](CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O)O)O
Structure:
CAS RN: 54377-18-3
CAS Name: (Z)-4-[2-[[3-[[4-[[[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxy-2-oxolanyl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethyl-1-oxobutyl]amino]-1-oxopropyl]amino]ethylthio]-4-oxo-2-butenoic acid
OPENEYE Name: (Z)-4-[2-[3-[[4-[[[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-2-hydroxy-3,3-dimethyl-butanoyl]amino]propanoylamino]ethylsulfanyl]-4-oxo-but-2-enoic acid
IUPAC Name: (Z)-4-[2-[3-[[4-[[[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethylsulfanyl]-4-oxobut-2-enoic acid
SYSTEMATIC NAME: (Z)-4-[2-[3-[[4-[[[5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethylsulfanyl]-4-oxidanylidene-but-2-enoic acid
MOLECULAR FORMULA: C25H38N7O19P3S
MOLECULAR WEIGHT: 865.591003
SMILES: CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)/C=C\C(=O)O)O
Structure:
CAS RN: 53872-50-7
CAS Name: (4E,6E,8E,10E,12E,14E,16E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,4,6,8,10,12,14,16,18,22-decaene
OPENEYE Name: (4E,6E,8E,10E,12E,14E,16E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,4,6,8,10,12,14,16,18,22-decaene
IUPAC Name: (4E,6E,8E,10E,12E,14E,16E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,4,6,8,10,12,14,16,18,22-decaene
SYSTEMATIC NAME: (4E,6E,8E,10E,12E,14E,16E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,4,6,8,10,12,14,16,18,22-decaene
MOLECULAR FORMULA: C30H42
MOLECULAR WEIGHT: 402.65448
SMILES: CC(=CCC/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C=C(C)C)/C)/C)C
Structure:
CAS RN: 53755-03-6
CAS Name: (2S)-3-(3,4-dihydroxyphenyl)-2-[[(Z)-3-(3,4-dihydroxyphenyl)-1-oxoprop-2-enyl]amino]propanoic acid
OPENEYE Name: (2S)-3-(3,4-dihydroxyphenyl)-2-[[(Z)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]amino]propanoic acid
IUPAC Name: (2S)-3-(3,4-dihydroxyphenyl)-2-[[(Z)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]amino]propanoic acid
SYSTEMATIC NAME: (2S)-3-[3,4-bis(oxidanyl)phenyl]-2-[[(Z)-3-[3,4-bis(oxidanyl)phenyl]prop-2-enoyl]amino]propanoic acid
MOLECULAR FORMULA: C18H17NO7
MOLECULAR WEIGHT: 359.33008
SMILES: C1=CC(=C(C=C1C[C@@H](C(=O)O)NC(=O)/C=C\C2=CC(=C(C=C2)O)O)O)O
Structure:
CAS RN: 53595-24-7
CAS Name: [(2R)-2-[(Z)-1-oxohexadec-9-enoxy]-3-(1-oxohexadecoxy)propyl] 2-(trimethylammonio)ethyl phosphate
OPENEYE Name: [(2R)-3-hexadecanoyloxy-2-[(Z)-hexadec-9-enoyl]oxy-propyl] 2-(trimethylammonio)ethyl phosphate
IUPAC Name: [(2R)-3-hexadecanoyloxy-2-[(Z)-hexadec-9-enoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
SYSTEMATIC NAME: [(2R)-3-hexadecanoyloxy-2-[(Z)-hexadec-9-enoyl]oxy-propyl] 2-(trimethylazaniumyl)ethyl phosphate
MOLECULAR FORMULA: C40H78NO8P
MOLECULAR WEIGHT: 732.022981
SMILES: CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\CCCCCC
Structure:
CAS RN: 52664-12-7
CAS Name: (E)-9-octadecenoic acid [(3S,10S,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,12,14,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-3-yl] ester
OPENEYE Name: [(3S,10S,13R,14R,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,12,14,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-3-yl] (E)-octadec-9-enoate
IUPAC Name: [(3S,10S,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,12,14,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-3-yl] (E)-octadec-9-enoate
SYSTEMATIC NAME: [(3S,10S,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,12,14,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-3-yl] (E)-octadec-9-enoate
MOLECULAR FORMULA: C45H74O2
MOLECULAR WEIGHT: 647.06786
SMILES: CCCCCCCC/C=C/CCCCCCCC(=O)O[C@H]1CC[C@]2(C(=CC=C3C2=CC[C@]4([C@H]3CC[C@@H]4[C@H](C)CCCC(C)C)C)C1)C
Structure:
CAS RN: 52212-95-0
CAS Name: (11Z,13E)-7-ethyl-4,6,10-trihydroxy-5-methoxy-9,16-dimethyl-1-oxacyclohexadeca-11,13-dien-2-one
OPENEYE Name: (11Z,13E)-7-ethyl-4,6,10-trihydroxy-5-methoxy-9,16-dimethyl-1-oxacyclohexadeca-11,13-dien-2-one
IUPAC Name: (11Z,13E)-7-ethyl-4,6,10-trihydroxy-5-methoxy-9,16-dimethyl-1-oxacyclohexadeca-11,13-dien-2-one
SYSTEMATIC NAME: (11Z,13E)-7-ethyl-5-methoxy-9,16-dimethyl-4,6,10-tris(oxidanyl)-1-oxacyclohexadeca-11,13-dien-2-one
MOLECULAR FORMULA: C20H34O6
MOLECULAR WEIGHT: 370.48036
SMILES: CCC1CC(C(/C=C\C=C\CC(OC(=O)CC(C(C1O)OC)O)C)O)C
Structure:
CAS RN: 49857-37-6
CAS Name: (E)-3-[4-(4-bromophenyl)phenyl]-3-(4-chlorophenyl)-N,N-dimethyl-2-propen-1-amine
OPENEYE Name: (E)-3-[4-(4-bromophenyl)phenyl]-3-(4-chlorophenyl)-N,N-dimethyl-prop-2-en-1-amine
IUPAC Name: (E)-3-[4-(4-bromophenyl)phenyl]-3-(4-chlorophenyl)-N,N-dimethylprop-2-en-1-amine
SYSTEMATIC NAME: (E)-3-[4-(4-bromophenyl)phenyl]-3-(4-chlorophenyl)-N,N-dimethyl-prop-2-en-1-amine
MOLECULAR FORMULA: C23H21BrClN
MOLECULAR WEIGHT: 426.77654
SMILES: CN(C)C/C=C(\C1=CC=C(C=C1)C2=CC=C(C=C2)Br)/C3=CC=C(C=C3)Cl
Structure:
CAS RN: 44976-95-6
CAS Name: (Z)-3-bromo-2-phosphonooxy-2-propenoic acid
OPENEYE Name: (Z)-3-bromo-2-phosphonooxy-prop-2-enoic acid
IUPAC Name: (Z)-3-bromo-2-phosphonooxyprop-2-enoic acid
SYSTEMATIC NAME: (Z)-3-bromanyl-2-phosphonooxy-prop-2-enoic acid
MOLECULAR FORMULA: C3H4BrO6P
MOLECULAR WEIGHT: 246.938021
SMILES: C(=C(/C(=O)O)\OP(=O)(O)O)\Br
Structure:
CAS RN: 41744-28-9
CAS Name: 2-methoxy-4-[3-methyl-5-[(E)-prop-1-enyl]-2-benzofuranyl]phenol
OPENEYE Name: 2-methoxy-4-[3-methyl-5-[(E)-prop-1-enyl]benzofuran-2-yl]phenol
IUPAC Name: 2-methoxy-4-[3-methyl-5-[(E)-prop-1-enyl]-1-benzofuran-2-yl]phenol
SYSTEMATIC NAME: 2-methoxy-4-[3-methyl-5-[(E)-prop-1-enyl]-1-benzofuran-2-yl]phenol
MOLECULAR FORMULA: C19H18O3
MOLECULAR WEIGHT: 294.34442
SMILES: C/C=C/C1=CC2=C(C=C1)OC(=C2C)C3=CC(=C(C=C3)O)OC
Structure:
CAS RN: 41613-22-3
CAS Name: (2R,3S,4S,5S,6R)-2-[(E,3R)-2-(hexylamino)-3-hydroxyoctadec-4-enoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
OPENEYE Name: (2R,3S,4S,5S,6R)-2-[(E,3R)-2-(hexylamino)-3-hydroxy-octadec-4-enoxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
IUPAC Name: (2R,3S,4S,5S,6R)-2-[(E,3R)-2-(hexylamino)-3-hydroxyoctadec-4-enoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
SYSTEMATIC NAME: (2R,3S,4S,5S,6R)-2-[(E,3R)-2-(hexylamino)-3-oxidanyl-octadec-4-enoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
MOLECULAR FORMULA: C30H59NO7
MOLECULAR WEIGHT: 545.79196
SMILES: CCCCCCCCCCCCC/C=C/[C@H](C(CO[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)NCCCCCC)O
Structure:
CAS RN: 41236-02-6
CAS Name: trimethyl-[4-[(E)-3-[(4-methyl-2-oxo-1-benzopyran-7-yl)oxy]-3-oxoprop-1-enyl]phenyl]ammonium chloride
OPENEYE Name: trimethyl-[4-[(E)-3-(4-methyl-2-oxo-chromen-7-yl)oxy-3-oxo-prop-1-enyl]phenyl]ammonium chloride
IUPAC Name: trimethyl-[4-[(E)-3-(4-methyl-2-oxochromen-7-yl)oxy-3-oxoprop-1-enyl]phenyl]azanium chloride
SYSTEMATIC NAME: trimethyl-[4-[(E)-3-(4-methyl-2-oxidanylidene-chromen-7-yl)oxy-3-oxidanylidene-prop-1-enyl]phenyl]azanium chloride
MOLECULAR FORMULA: C22H22ClNO4
MOLECULAR WEIGHT: 399.86738
SMILES: CC1=CC(=O)OC2=C1C=CC(=C2)OC(=O)/C=C/C3=CC=C(C=C3)[N+](C)(C)C.[Cl-]
Structure:
No comments:
Post a Comment