CAS RN: 125973-61-7
CAS Name: 4-[(E)-3-[3,5-bis(trimethylgermyl)phenyl]-3-oxoprop-1-enyl]benzoic acid
OPENEYE Name: 4-[(E)-3-[3,5-bis(trimethylgermyl)phenyl]-3-oxo-prop-1-enyl]benzoic acid
IUPAC Name: 4-[(E)-3-[3,5-bis(trimethylgermyl)phenyl]-3-oxoprop-1-enyl]benzoic acid
SYSTEMATIC NAME: 4-[(E)-3-[3,5-bis(trimethylgermyl)phenyl]-3-oxidanylidene-prop-1-enyl]benzoic acid
MOLECULAR FORMULA: C22H28Ge2O3
MOLECULAR WEIGHT: 485.73592
SMILES: C[Ge](C)(C)C1=CC(=CC(=C1)C(=O)/C=C/C2=CC=C(C=C2)C(=O)O)[Ge](C)(C)C
Structure:
CAS RN: 125973-58-2
CAS Name: 4-[(E)-3-[3,5-bis(trimethylsilyl)phenyl]-3-oxoprop-1-enyl]benzoic acid
OPENEYE Name: 4-[(E)-3-[3,5-bis(trimethylsilyl)phenyl]-3-oxo-prop-1-enyl]benzoic acid
IUPAC Name: 4-[(E)-3-[3,5-bis(trimethylsilyl)phenyl]-3-oxoprop-1-enyl]benzoic acid
SYSTEMATIC NAME: 4-[(E)-3-[3,5-bis(trimethylsilyl)phenyl]-3-oxidanylidene-prop-1-enyl]benzoic acid
MOLECULAR FORMULA: C22H28O3Si2
MOLECULAR WEIGHT: 396.62692
SMILES: C[Si](C)(C)C1=CC(=CC(=C1)C(=O)/C=C/C2=CC=C(C=C2)C(=O)O)[Si](C)(C)C
Structure:
CAS RN: 115540-42-6
CAS Name: (1R,3S,5E)-5-[(2E)-2-[(3aS,7aR)-1-(6,6-difluoro-7-hydroxy-7-methyloctan-2-yl)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylenecyclohexane-1,3-diol
OPENEYE Name: (1R,3S,5E)-5-[(2E)-2-[(3aS,7aR)-1-(5,5-difluoro-6-hydroxy-1,6-dimethyl-heptyl)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylene-cyclohexane-1,3-diol
IUPAC Name: (1R,3S,5E)-5-[(2E)-2-[(3aS,7aR)-1-(6,6-difluoro-7-hydroxy-7-methyloctan-2-yl)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
SYSTEMATIC NAME: (1R,3S,5E)-5-[(2E)-2-[(3aS,7aR)-1-[6,6-bis(fluoranyl)-7-methyl-7-oxidanyl-octan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol
MOLECULAR FORMULA: C28H44F2O3
MOLECULAR WEIGHT: 466.643966
SMILES: CC(CCCC(C(C)(C)O)(F)F)C1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C\3/C[C@H](C[C@@H](C3=C)O)O)C
Structure:
CAS RN: 115288-30-7
CAS Name: N-(1-amino-4-methyl-1-oxopentan-2-yl)-7-[2-[(E)-3-(3-butylcyclopentyl)-3-hydroxyprop-1-enyl]-3-hydroxy-5-oxocyclopentyl]heptanamide
OPENEYE Name: 7-[2-[(E)-3-(3-butylcyclopentyl)-3-hydroxy-prop-1-enyl]-3-hydroxy-5-oxo-cyclopentyl]-N-(1-carbamoyl-3-methyl-butyl)heptanamide
IUPAC Name: N-(1-amino-4-methyl-1-oxopentan-2-yl)-7-[2-[(E)-3-(3-butylcyclopentyl)-3-hydroxyprop-1-enyl]-3-hydroxy-5-oxocyclopentyl]heptanamide
SYSTEMATIC NAME: N-(1-azanyl-4-methyl-1-oxidanylidene-pentan-2-yl)-7-[2-[(E)-3-(3-butylcyclopentyl)-3-oxidanyl-prop-1-enyl]-3-oxidanyl-5-oxidanylidene-cyclopentyl]heptanamide
MOLECULAR FORMULA: C30H52N2O5
MOLECULAR WEIGHT: 520.74428
SMILES: CCCCC1CCC(C1)C(/C=C/C2C(CC(=O)C2CCCCCCC(=O)NC(CC(C)C)C(=O)N)O)O
Structure:
CAS RN: 114489-80-4
CAS Name: (1R,5Z)-5-[(2E)-2-[(1R,7aR)-7a-methyl-1-[(2R)-7,7,7-trifluoro-4,6-dihydroxy-6-(trifluoromethyl)heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylenecyclohexane-1,3-diol
OPENEYE Name: (1R,5Z)-5-[(2E)-2-[(1R,7aR)-7a-methyl-1-[(1R)-6,6,6-trifluoro-3,5-dihydroxy-1-methyl-5-(trifluoromethyl)hexyl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylene-cyclohexane-1,3-diol
IUPAC Name: (1R,5Z)-5-[(2E)-2-[(1R,7aR)-7a-methyl-1-[(2R)-7,7,7-trifluoro-4,6-dihydroxy-6-(trifluoromethyl)heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
SYSTEMATIC NAME: (1R,5Z)-5-[(2E)-2-[(1R,7aR)-7a-methyl-1-[(2R)-7,7,7-tris(fluoranyl)-4,6-bis(oxidanyl)-6-(trifluoromethyl)heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol
MOLECULAR FORMULA: C27H38F6O4
MOLECULAR WEIGHT: 540.578639
SMILES: C[C@H](CC(CC(C(F)(F)F)(C(F)(F)F)O)O)[C@H]1CCC\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](CC(C3=C)O)O)C
Structure:
CAS RN: 114127-17-2
CAS Name: (2E,4E)-7-[4-(dimethylamino)phenyl]-4,6-dimethyl-7-oxohepta-2,4-dienoic acid
OPENEYE Name: (2E,4E)-7-[4-(dimethylamino)phenyl]-4,6-dimethyl-7-oxo-hepta-2,4-dienoic acid
IUPAC Name: (2E,4E)-7-[4-(dimethylamino)phenyl]-4,6-dimethyl-7-oxohepta-2,4-dienoic acid
SYSTEMATIC NAME: (2E,4E)-7-[4-(dimethylamino)phenyl]-4,6-dimethyl-7-oxidanylidene-hepta-2,4-dienoic acid
MOLECULAR FORMULA: C17H21NO3
MOLECULAR WEIGHT: 287.35354
SMILES: CC(/C=C(\C)/C=C/C(=O)O)C(=O)C1=CC=C(C=C1)N(C)C
Structure:
CAS RN: 114041-00-8
CAS Name: N,N-dihexadecyl-4-[(E)-2-(1-methyl-4-pyridin-1-iumyl)ethenyl]aniline iodide
OPENEYE Name: N,N-dihexadecyl-4-[(E)-2-(1-methylpyridin-1-ium-4-yl)vinyl]aniline iodide
IUPAC Name: N,N-dihexadecyl-4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]aniline iodide
SYSTEMATIC NAME: N,N-dihexadecyl-4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]aniline iodide
MOLECULAR FORMULA: C46H79IN2
MOLECULAR WEIGHT: 787.03733
SMILES: CCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCC)C1=CC=C(C=C1)/C=C/C2=CC=[N+](C=C2)C.[I-]
Structure:
CAS RN: 111687-67-3
CAS Name: (1R,3S,5E)-5-[(2E)-2-[(3aS,7aS)-7a-methyl-1-[(1S)-1-(3-methylbutoxy)ethyl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylenecyclohexane-1,3-diol
OPENEYE Name: (1R,3S,5E)-5-[(2E)-2-[(3aS,7aS)-1-[(1S)-1-isopentyloxyethyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylene-cyclohexane-1,3-diol
IUPAC Name: (1R,3S,5E)-5-[(2E)-2-[(3aS,7aS)-7a-methyl-1-[(1S)-1-(3-methylbutoxy)ethyl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
SYSTEMATIC NAME: (1R,3S,5E)-5-[(2E)-2-[(3aS,7aS)-7a-methyl-1-[(1S)-1-(3-methylbutoxy)ethyl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol
MOLECULAR FORMULA: C26H42O3
MOLECULAR WEIGHT: 402.60988
SMILES: C[C@@H](C1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C\3/C[C@H](C[C@@H](C3=C)O)O)C)OCCC(C)C
Structure:
CAS RN: 111682-15-6
CAS Name: sulfuric acid [(E,2S,3R)-2-[[1-oxo-12-(1-pyrenyl)dodecyl]amino]-1-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]octadec-4-en-3-yl] ester
OPENEYE Name: [(E,1R)-1-[(1S)-1-(12-pyren-1-yldodecanoylamino)-2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-ethyl]hexadec-2-enyl] hydrogen sulfate
IUPAC Name: [(E,2S,3R)-2-(12-pyren-1-yldodecanoylamino)-1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadec-4-en-3-yl] hydrogen sulfate
SYSTEMATIC NAME: [(E,2S,3R)-1-[(2R,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2-(12-pyren-1-yldodecanoylamino)octadec-4-en-3-yl] hydrogen sulfate
MOLECULAR FORMULA: C52H77NO11S
MOLECULAR WEIGHT: 924.23288
SMILES: CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)NC(=O)CCCCCCCCCCCC2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2)OS(=O)(=O)O
Structure:
CAS RN: 111574-76-6
CAS Name: 2-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]-5-hydroxy-7,8-dimethoxy-3-methyl-1-benzopyran-4-one
OPENEYE Name: 2-[(E)-2-(3,5-dihydroxyphenyl)vinyl]-5-hydroxy-7,8-dimethoxy-3-methyl-chromen-4-one
IUPAC Name: 2-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]-5-hydroxy-7,8-dimethoxy-3-methylchromen-4-one
SYSTEMATIC NAME: 2-[(E)-2-[3,5-bis(oxidanyl)phenyl]ethenyl]-7,8-dimethoxy-3-methyl-5-oxidanyl-chromen-4-one
MOLECULAR FORMULA: C20H18O7
MOLECULAR WEIGHT: 370.35272
SMILES: CC1=C(OC2=C(C1=O)C(=CC(=C2OC)OC)O)/C=C/C3=CC(=CC(=C3)O)O
Structure:
CAS RN: 110848-62-9
CAS Name: 2-[[(2Z,4E,6E,8E)-3,7-dimethyl-1-oxo-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenyl]amino]acetic acid
OPENEYE Name: 2-[[(2Z,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoyl]amino]acetic acid
IUPAC Name: 2-[[(2Z,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoyl]amino]acetic acid
SYSTEMATIC NAME: 2-[[(2Z,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoyl]amino]ethanoic acid
MOLECULAR FORMULA: C22H31NO3
MOLECULAR WEIGHT: 357.48644
SMILES: CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C\C(=O)NCC(=O)O)/C)/C
Structure:
CAS RN: 110786-78-2
CAS Name: (6Z,20Z)-8,10,13,14-tetrahydroxy-3,7,8,15,17,20-hexamethyl-5-methylene-18,27-dioxabicyclo[24.1.0]heptacosa-6,20,24-triene-12,19-dione
OPENEYE Name: (6Z,20Z)-8,10,13,14-tetrahydroxy-3,7,8,15,17,20-hexamethyl-5-methylene-18,27-dioxabicyclo[24.1.0]heptacosa-6,20,24-triene-12,19-dione
IUPAC Name: (6Z,20Z)-8,10,13,14-tetrahydroxy-3,7,8,15,17,20-hexamethyl-5-methylidene-18,27-dioxabicyclo[24.1.0]heptacosa-6,20,24-triene-12,19-dione
SYSTEMATIC NAME: (6Z,20Z)-3,7,8,15,17,20-hexamethyl-5-methylidene-8,10,13,14-tetrakis(oxidanyl)-18,27-dioxabicyclo[24.1.0]heptacosa-6,20,24-triene-12,19-dione
MOLECULAR FORMULA: C32H50O8
MOLECULAR WEIGHT: 562.7346
SMILES: CC1CC2C(O2)C=CCC/C=C(\C(=O)OC(CC(C(C(C(=O)CC(CC(/C(=C\C(=C)C1)/C)(C)O)O)O)O)C)C)/C
Structure:
CAS RN: 110683-02-8
CAS Name: (2S)-2-[[(2Z,4Z,6Z,8Z)-3,7-dimethyl-1-oxo-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenyl]amino]-4-methylpentanoic acid
OPENEYE Name: (2S)-2-[[(2Z,4Z,6Z,8Z)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoyl]amino]-4-methyl-pentanoic acid
IUPAC Name: (2S)-2-[[(2Z,4Z,6Z,8Z)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoyl]amino]-4-methylpentanoic acid
SYSTEMATIC NAME: (2S)-2-[[(2Z,4Z,6Z,8Z)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoyl]amino]-4-methyl-pentanoic acid
MOLECULAR FORMULA: C26H39NO3
MOLECULAR WEIGHT: 413.59276
SMILES: CC1=C(C(CCC1)(C)C)/C=C\C(=C/C=C\C(=C/C(=O)N[C@@H](CC(C)C)C(=O)O)\C)\C
Structure:
CAS RN: 110769-97-6
CAS Name: (2S)-2-[[(2Z,4Z,6Z,8Z)-3,7-dimethyl-1-oxo-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenyl]amino]-4-methylpentanoic acid
OPENEYE Name: (2S)-2-[[(2Z,4Z,6Z,8Z)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoyl]amino]-4-methyl-pentanoic acid
IUPAC Name: (2S)-2-[[(2Z,4Z,6Z,8Z)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoyl]amino]-4-methylpentanoic acid
SYSTEMATIC NAME: (2S)-2-[[(2Z,4Z,6Z,8Z)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoyl]amino]-4-methyl-pentanoic acid
MOLECULAR FORMULA: C26H39NO3
MOLECULAR WEIGHT: 413.59276
SMILES: CC1=C(C(CCC1)(C)C)/C=C\C(=C/C=C\C(=C/C(=O)N[C@@H](CC(C)C)C(=O)O)\C)\C
Structure:
CAS RN: 110675-48-4
CAS Name: 4-[(E)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]phenol
OPENEYE Name: 4-[(E)-2-(1,1,4,4-tetramethyltetralin-6-yl)prop-1-enyl]phenol
IUPAC Name: 4-[(E)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]phenol
SYSTEMATIC NAME: 4-[(E)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]phenol
MOLECULAR FORMULA: C23H28O
MOLECULAR WEIGHT: 320.46782
SMILES: C/C(=C\C1=CC=C(C=C1)O)/C2=CC3=C(C=C2)C(CCC3(C)C)(C)C
Structure:
CAS RN: 110668-37-6
CAS Name: N-[(E,2S,3R)-3-hydroxy-1-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]octadec-4-en-2-yl]-10-(1-pyrenyl)decanamide
OPENEYE Name: N-[(E,1S,2R)-2-hydroxy-1-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]heptadec-3-enyl]-10-pyren-1-yl-decanamide
IUPAC Name: N-[(E,2S,3R)-3-hydroxy-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadec-4-en-2-yl]-10-pyren-1-yldecanamide
SYSTEMATIC NAME: N-[(E,2S,3R)-1-[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3-oxidanyl-octadec-4-en-2-yl]-10-pyren-1-yl-decanamide
MOLECULAR FORMULA: C50H73NO8
MOLECULAR WEIGHT: 816.11652
SMILES: CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)NC(=O)CCCCCCCCCC2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2)O
Structure:
CAS RN: 110652-73-8
CAS Name: (E)-3-[(6R)-6-hydroxy-4-methoxy-11-oxo-5,6,6a,7-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-8-yl]-N,N-dimethyl-2-propenamide
OPENEYE Name: (E)-3-[(6R)-6-hydroxy-4-methoxy-11-oxo-5,6,6a,7-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-8-yl]-N,N-dimethyl-prop-2-enamide
IUPAC Name: (E)-3-[(6R)-6-hydroxy-4-methoxy-11-oxo-5,6,6a,7-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-8-yl]-N,N-dimethylprop-2-enamide
SYSTEMATIC NAME: (E)-3-[(6R)-4-methoxy-6-oxidanyl-11-oxidanylidene-5,6,6a,7-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-8-yl]-N,N-dimethyl-prop-2-enamide
MOLECULAR FORMULA: C18H21N3O4
MOLECULAR WEIGHT: 343.37704
SMILES: CN(C)C(=O)/C=C/C1=CN2C(C1)[C@H](NC3=C(C2=O)C=CC=C3OC)O
Structure:
CAS RN: 110652-72-7
CAS Name: (E)-3-[(6R)-4,6-dimethoxy-11-oxo-5,6,6a,7-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-8-yl]-N,N-dimethyl-2-propenamide
OPENEYE Name: (E)-3-[(6R)-4,6-dimethoxy-11-oxo-5,6,6a,7-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-8-yl]-N,N-dimethyl-prop-2-enamide
IUPAC Name: (E)-3-[(6R)-4,6-dimethoxy-11-oxo-5,6,6a,7-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-8-yl]-N,N-dimethylprop-2-enamide
SYSTEMATIC NAME: (E)-3-[(6R)-4,6-dimethoxy-11-oxidanylidene-5,6,6a,7-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-8-yl]-N,N-dimethyl-prop-2-enamide
MOLECULAR FORMULA: C19H23N3O4
MOLECULAR WEIGHT: 357.40362
SMILES: CN(C)C(=O)/C=C/C1=CN2C(C1)[C@H](NC3=C(C2=O)C=CC=C3OC)OC
Structure:
CAS RN: 110501-66-1
CAS Name: carbonic acid [4-[(1E,3E)-5-[2-[4-(diphenylmethyl)oxy-1-piperidinyl]ethylamino]-5-oxopenta-1,3-dienyl]-2-methoxyphenyl] ethyl ester
OPENEYE Name: [4-[(1E,3E)-5-[2-(4-benzhydryloxy-1-piperidyl)ethylamino]-5-oxo-penta-1,3-dienyl]-2-methoxy-phenyl] ethyl carbonate
IUPAC Name: [4-[(1E,3E)-5-[2-(4-benzhydryloxypiperidin-1-yl)ethylamino]-5-oxopenta-1,3-dienyl]-2-methoxyphenyl] ethyl carbonate
SYSTEMATIC NAME: [4-[(1E,3E)-5-[2-[4-(diphenylmethyl)oxypiperidin-1-yl]ethylamino]-5-oxidanylidene-penta-1,3-dienyl]-2-methoxy-phenyl] ethyl carbonate
MOLECULAR FORMULA: C35H40N2O6
MOLECULAR WEIGHT: 584.7019
SMILES: CCOC(=O)OC1=C(C=C(C=C1)/C=C/C=C/C(=O)NCCN2CCC(CC2)OC(C3=CC=CC=C3)C4=CC=CC=C4)OC
Structure:
CAS RN: 159776-68-8
CAS Name: carbonic acid [4-[(1E,3E)-5-[2-[4-(diphenylmethyl)oxy-1-piperidinyl]ethylamino]-5-oxopenta-1,3-dienyl]-2-methoxyphenyl] ethyl ester
OPENEYE Name: [4-[(1E,3E)-5-[2-(4-benzhydryloxy-1-piperidyl)ethylamino]-5-oxo-penta-1,3-dienyl]-2-methoxy-phenyl] ethyl carbonate
IUPAC Name: [4-[(1E,3E)-5-[2-(4-benzhydryloxypiperidin-1-yl)ethylamino]-5-oxopenta-1,3-dienyl]-2-methoxyphenyl] ethyl carbonate
SYSTEMATIC NAME: [4-[(1E,3E)-5-[2-[4-(diphenylmethyl)oxypiperidin-1-yl]ethylamino]-5-oxidanylidene-penta-1,3-dienyl]-2-methoxy-phenyl] ethyl carbonate
MOLECULAR FORMULA: C35H40N2O6
MOLECULAR WEIGHT: 584.7019
SMILES: CCOC(=O)OC1=C(C=C(C=C1)/C=C/C=C/C(=O)NCCN2CCC(CC2)OC(C3=CC=CC=C3)C4=CC=CC=C4)OC
Structure:
CAS RN: 109947-25-3
CAS Name: 3-[(E)-2-[(1R,3aR,4R,7aR)-4-hydroxy-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-yl]ethenyl]-4-methylene-1-cyclohex-2-enone
OPENEYE Name: 3-[(E)-2-[(1R,3aR,4R,7aR)-4-hydroxy-1-[(1R)-5-hydroxy-1,5-dimethyl-hexyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-yl]vinyl]-4-methylene-cyclohex-2-en-1-one
IUPAC Name: 3-[(E)-2-[(1R,3aR,4R,7aR)-4-hydroxy-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-yl]ethenyl]-4-methylidenecyclohex-2-en-1-one
SYSTEMATIC NAME: 3-[(E)-2-[(1R,3aR,4R,7aR)-7a-methyl-1-[(2R)-6-methyl-6-oxidanyl-heptan-2-yl]-4-oxidanyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-yl]ethenyl]-4-methylidene-cyclohex-2-en-1-one
MOLECULAR FORMULA: C27H42O3
MOLECULAR WEIGHT: 414.62058
SMILES: C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]2[C@@]1(CCC[C@]2(/C=C/C3=CC(=O)CCC3=C)O)C
Structure:
CAS RN: 109796-65-8
CAS Name: (E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoic acid [(2S,3S,4R)-1,2,4-trihydroxy-5-oxopentan-3-yl] ester
OPENEYE Name: [(1S,2R)-1-[(1S)-1,2-dihydroxyethyl]-2-hydroxy-3-oxo-propyl] (E)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoate
IUPAC Name: [(2S,3S,4R)-1,2,4-trihydroxy-5-oxopentan-3-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
SYSTEMATIC NAME: [(2S,3S,4R)-1,2,4-tris(oxidanyl)-5-oxidanylidene-pentan-3-yl] (E)-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enoate
MOLECULAR FORMULA: C15H18O8
MOLECULAR WEIGHT: 326.29862
SMILES: COC1=C(C=CC(=C1)/C=C/C(=O)O[C@@H]([C@H](CO)O)[C@H](C=O)O)O
Structure:
CAS RN: 108351-50-4
CAS Name: (2E,4E)-N-[(2S,3R)-3-hydroxy-1-[[(3Z,5S,8S,10S)-10-hydroxy-5-methyl-2,7-dioxo-1,6-diazacyclododec-3-en-8-yl]amino]-1-oxobutan-2-yl]dodeca-2,4-dienamide
OPENEYE Name: (2E,4E)-N-[(1S,2R)-2-hydroxy-1-[[(3Z,5S,8S,10S)-10-hydroxy-5-methyl-2,7-dioxo-1,6-diazacyclododec-3-en-8-yl]carbamoyl]propyl]dodeca-2,4-dienamide
IUPAC Name: (2E,4E)-N-[(2S,3R)-3-hydroxy-1-[[(3Z,5S,8S,10S)-10-hydroxy-5-methyl-2,7-dioxo-1,6-diazacyclododec-3-en-8-yl]amino]-1-oxobutan-2-yl]dodeca-2,4-dienamide
SYSTEMATIC NAME: (2E,4E)-N-[(2S,3R)-1-[[(3Z,5S,8S,10S)-5-methyl-10-oxidanyl-2,7-bis(oxidanylidene)-1,6-diazacyclododec-3-en-8-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]dodeca-2,4-dienamide
MOLECULAR FORMULA: C27H44N4O6
MOLECULAR WEIGHT: 520.66146
SMILES: CCCCCCC/C=C/C=C/C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@H]1C[C@H](CCNC(=O)/C=C\[C@@H](NC1=O)C)O
Structure:
CAS RN: 71310-81-1
CAS Name: 9-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxy-4-oxooct-1-enyl]cyclopentyl]nonanoic acid
OPENEYE Name: 9-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxy-4-oxo-oct-1-enyl]cyclopentyl]nonanoic acid
IUPAC Name: 9-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxy-4-oxooct-1-enyl]cyclopentyl]nonanoic acid
SYSTEMATIC NAME: 9-[(1R,2R,3R,5S)-3,5-bis(oxidanyl)-2-[(E,3S)-3-oxidanyl-4-oxidanylidene-oct-1-enyl]cyclopentyl]nonanoic acid
MOLECULAR FORMULA: C22H38O6
MOLECULAR WEIGHT: 398.53352
SMILES: CCCCC(=O)[C@H](/C=C/[C@H]1[C@@H](C[C@@H]([C@@H]1CCCCCCCCC(=O)O)O)O)O
Structure:
CAS RN: 125768-10-7
CAS Name: (2S)-2-[[[(Z)-1-[[2-(ethylamino)-2-oxoethyl]amino]-4-methyl-1-oxopent-2-en-2-yl]amino]-oxomethyl]-1-pyrrolidinecarboxylic acid tert-butyl ester
OPENEYE Name: tert-butyl (2S)-2-[[(Z)-1-[[2-(ethylamino)-2-oxo-ethyl]carbamoyl]-3-methyl-but-1-enyl]carbamoyl]pyrrolidine-1-carboxylate
IUPAC Name: tert-butyl (2S)-2-[[(Z)-1-[[2-(ethylamino)-2-oxoethyl]amino]-4-methyl-1-oxopent-2-en-2-yl]carbamoyl]pyrrolidine-1-carboxylate
SYSTEMATIC NAME: tert-butyl (2S)-2-[[(Z)-1-[[2-(ethylamino)-2-oxidanylidene-ethyl]amino]-4-methyl-1-oxidanylidene-pent-2-en-2-yl]carbamoyl]pyrrolidine-1-carboxylate
MOLECULAR FORMULA: C20H34N4O5
MOLECULAR WEIGHT: 410.50776
SMILES: CCNC(=O)CNC(=O)/C(=C/C(C)C)/NC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C
Structure:
CAS RN: 125741-64-2
CAS Name: (2R)-2-amino-3-[[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]thio]propanoic acid methyl ester
OPENEYE Name: methyl (2R)-2-amino-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanyl-propanoate
IUPAC Name: methyl (2R)-2-amino-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanylpropanoate
SYSTEMATIC NAME: methyl (2R)-2-azanyl-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanyl-propanoate
MOLECULAR FORMULA: C19H33NO2S
MOLECULAR WEIGHT: 339.53582
SMILES: CC(=CCC/C(=C/CC/C(=C/CSC[C@@H](C(=O)OC)N)/C)/C)C
Structure:
CAS RN: 107812-57-7
CAS Name: (E)-3-phenyl-2-propenoic acid [(1aR,2S,4aR,7R,7aR,7bR)-7-hydroxy-1,1,7-trimethyl-4-methylene-1a,2,3,4a,5,6,7a,7b-octahydrocyclopropa[e]azulen-2-yl] ester
OPENEYE Name: [(1aR,2S,4aR,7R,7aR,7bR)-7-hydroxy-1,1,7-trimethyl-4-methylene-1a,2,3,4a,5,6,7a,7b-octahydrocyclopropa[e]azulen-2-yl] (E)-3-phenylprop-2-enoate
IUPAC Name: [(1aR,2S,4aR,7R,7aR,7bR)-7-hydroxy-1,1,7-trimethyl-4-methylidene-1a,2,3,4a,5,6,7a,7b-octahydrocyclopropa[e]azulen-2-yl] (E)-3-phenylprop-2-enoate
SYSTEMATIC NAME: [(1aR,2S,4aR,7R,7aR,7bR)-1,1,7-trimethyl-4-methylidene-7-oxidanyl-1a,2,3,4a,5,6,7a,7b-octahydrocyclopropa[e]azulen-2-yl] (E)-3-phenylprop-2-enoate
MOLECULAR FORMULA: C24H30O3
MOLECULAR WEIGHT: 366.4932
SMILES: C[C@]1(CC[C@@H]2[C@@H]1[C@H]3[C@H](C3(C)C)[C@H](CC2=C)OC(=O)/C=C/C4=CC=CC=C4)O
Structure:
CAS RN: 100667-78-5
CAS Name: 4-[(3E,5E,7E,9E,11E,13E,15E)-18-(2,4-dihydroxy-2,6,6-trimethylcyclohexylidene)-3,7,12,16-tetramethyl-2-oxooctadeca-3,5,7,9,11,13,15,17-octaenyl]-4-hydroxy-3,5,5-trimethyl-1-cyclohex-2-enone
OPENEYE Name: 4-[(3E,5E,7E,9E,11E,13E,15E)-18-(2,4-dihydroxy-2,6,6-trimethyl-cyclohexylidene)-3,7,12,16-tetramethyl-2-oxo-octadeca-3,5,7,9,11,13,15,17-octaenyl]-4-hydroxy-3,5,5-trimethyl-cyclohex-2-en-1-one
IUPAC Name: 4-[(3E,5E,7E,9E,11E,13E,15E)-18-(2,4-dihydroxy-2,6,6-trimethylcyclohexylidene)-3,7,12,16-tetramethyl-2-oxooctadeca-3,5,7,9,11,13,15,17-octaenyl]-4-hydroxy-3,5,5-trimethylcyclohex-2-en-1-one
SYSTEMATIC NAME: 3,5,5-trimethyl-4-oxidanyl-4-[(3E,5E,7E,9E,11E,13E,15E)-3,7,12,16-tetramethyl-2-oxidanylidene-18-[2,2,6-trimethyl-4,6-bis(oxidanyl)cyclohexylidene]octadeca-3,5,7,9,11,13,15,17-octaenyl]cyclohex-2-en-1-one
MOLECULAR FORMULA: C40H54O5
MOLECULAR WEIGHT: 614.85376
SMILES: CC1=CC(=O)CC(C1(CC(=O)/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C=C2C(CC(CC2(C)O)O)(C)C)/C)/C)O)(C)C
Structure:
CAS RN: 127035-60-3
CAS Name: 4-[(E)-2-(4-fluorophenyl)ethenyl]-2,6-dimethylphenol
OPENEYE Name: 4-[(E)-2-(4-fluorophenyl)vinyl]-2,6-dimethyl-phenol
IUPAC Name: 4-[(E)-2-(4-fluorophenyl)ethenyl]-2,6-dimethylphenol
SYSTEMATIC NAME: 4-[(E)-2-(4-fluorophenyl)ethenyl]-2,6-dimethyl-phenol
MOLECULAR FORMULA: C16H15FO
MOLECULAR WEIGHT: 242.288103
SMILES: CC1=CC(=CC(=C1O)C)/C=C/C2=CC=C(C=C2)F
Structure:
CAS RN: 125722-16-9
CAS Name: 4-[(E)-2-(4-fluorophenyl)ethenyl]-2,6-dimethylphenol
OPENEYE Name: 4-[(E)-2-(4-fluorophenyl)vinyl]-2,6-dimethyl-phenol
IUPAC Name: 4-[(E)-2-(4-fluorophenyl)ethenyl]-2,6-dimethylphenol
SYSTEMATIC NAME: 4-[(E)-2-(4-fluorophenyl)ethenyl]-2,6-dimethyl-phenol
MOLECULAR FORMULA: C16H15FO
MOLECULAR WEIGHT: 242.288103
SMILES: CC1=CC(=CC(=C1O)C)/C=C/C2=CC=C(C=C2)F
Structure:
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