CAS RN: 68259-31-4
CAS Name: (2R)-2-[(3S)-3-amino-2-oxo-1-azetidinyl]-2-(4-hydroxyphenyl)acetic acid
OPENEYE Name: (2R)-2-[(3S)-3-amino-2-oxo-azetidin-1-yl]-2-(4-hydroxyphenyl)acetic acid
IUPAC Name: (2R)-2-[(3S)-3-amino-2-oxoazetidin-1-yl]-2-(4-hydroxyphenyl)acetic acid
SYSTEMATIC NAME: (2R)-2-[(3S)-3-azanyl-2-oxidanylidene-azetidin-1-yl]-2-(4-hydroxyphenyl)ethanoic acid
MOLECULAR FORMULA: C11H12N2O4
MOLECULAR WEIGHT: 236.22398
SMILES: C1[C@@H](C(=O)N1[C@H](C2=CC=C(C=C2)O)C(=O)O)N
Structure:
CAS RN: 34844-26-3
CAS Name: 2-amino-6-(1,2,3,4-tetrahydroxybutyl)-1H-pteridin-4-one
OPENEYE Name: 2-amino-6-(1,2,3,4-tetrahydroxybutyl)-1H-pteridin-4-one
IUPAC Name: 2-amino-6-(1,2,3,4-tetrahydroxybutyl)-1H-pteridin-4-one
SYSTEMATIC NAME: 2-azanyl-6-[1,2,3,4-tetrakis(oxidanyl)butyl]-1H-pteridin-4-one
MOLECULAR FORMULA: C10H13N5O5
MOLECULAR WEIGHT: 283.24072
SMILES: C1=C(N=C2C(=N1)NC(=NC2=O)N)C(C(C(CO)O)O)O
Structure:
CAS RN: 13392-23-9
CAS Name: 2-amino-6-(1,2,3,4-tetrahydroxybutyl)-1H-pteridin-4-one
OPENEYE Name: 2-amino-6-(1,2,3,4-tetrahydroxybutyl)-1H-pteridin-4-one
IUPAC Name: 2-amino-6-(1,2,3,4-tetrahydroxybutyl)-1H-pteridin-4-one
SYSTEMATIC NAME: 2-azanyl-6-[1,2,3,4-tetrakis(oxidanyl)butyl]-1H-pteridin-4-one
MOLECULAR FORMULA: C10H13N5O5
MOLECULAR WEIGHT: 283.24072
SMILES: C1=C(N=C2C(=N1)NC(=NC2=O)N)C(C(C(CO)O)O)O
Structure:
CAS RN: 88404-25-5
CAS Name: 4-(bromomethyl)-6,7-dimethoxy-1-benzopyran-2-one
OPENEYE Name: 4-(bromomethyl)-6,7-dimethoxy-chromen-2-one
IUPAC Name: 4-(bromomethyl)-6,7-dimethoxychromen-2-one
SYSTEMATIC NAME: 4-(bromomethyl)-6,7-dimethoxy-chromen-2-one
MOLECULAR FORMULA: C12H11BrO4
MOLECULAR WEIGHT: 299.11734
SMILES: COC1=C(C=C2C(=C1)C(=CC(=O)O2)CBr)OC
Structure:
CAS RN: 13382-27-9
CAS Name: (2R,3S,4S,5R)-2,3,4,5,6-pentahydroxyhexanoic acid
OPENEYE Name: (2R,3S,4S,5R)-2,3,4,5,6-pentahydroxyhexanoic acid
IUPAC Name: (2R,3S,4S,5R)-2,3,4,5,6-pentahydroxyhexanoic acid
SYSTEMATIC NAME: (2R,3S,4S,5R)-2,3,4,5,6-pentakis(oxidanyl)hexanoic acid
MOLECULAR FORMULA: C6H12O7
MOLECULAR WEIGHT: 196.15528
SMILES: C([C@H]([C@@H]([C@@H]([C@H](C(=O)O)O)O)O)O)O
Structure:
CAS RN: 13306-67-7
CAS Name: (4-hydroxyphenyl) [4-(3-oxo-1H-isobenzofuran-1-yl)phenyl] hydrogen phosphate
OPENEYE Name: (4-hydroxyphenyl) [4-(3-oxo-1H-isobenzofuran-1-yl)phenyl] hydrogen phosphate
IUPAC Name: (4-hydroxyphenyl) [4-(3-oxo-1H-2-benzofuran-1-yl)phenyl] hydrogen phosphate
SYSTEMATIC NAME: (4-hydroxyphenyl) [4-(3-oxidanylidene-1H-2-benzofuran-1-yl)phenyl] hydrogen phosphate
MOLECULAR FORMULA: C20H15O7P
MOLECULAR WEIGHT: 398.302661
SMILES: C1=CC=C2C(=C1)C(OC2=O)C3=CC=C(C=C3)OP(=O)(O)OC4=CC=C(C=C4)O
Structure:
CAS RN: 13410-45-2
CAS Name: (4-hydroxyphenyl) [4-(3-oxo-1H-isobenzofuran-1-yl)phenyl] hydrogen phosphate
OPENEYE Name: (4-hydroxyphenyl) [4-(3-oxo-1H-isobenzofuran-1-yl)phenyl] hydrogen phosphate
IUPAC Name: (4-hydroxyphenyl) [4-(3-oxo-1H-2-benzofuran-1-yl)phenyl] hydrogen phosphate
SYSTEMATIC NAME: (4-hydroxyphenyl) [4-(3-oxidanylidene-1H-2-benzofuran-1-yl)phenyl] hydrogen phosphate
MOLECULAR FORMULA: C20H15O7P
MOLECULAR WEIGHT: 398.302661
SMILES: C1=CC=C2C(=C1)C(OC2=O)C3=CC=C(C=C3)OP(=O)(O)OC4=CC=C(C=C4)O
Structure:
CAS RN: 13306-05-3
CAS Name: 2-(3,4-dihydroxyphenyl)-1-benzopyrylium-3,5,7-triol
OPENEYE Name: 2-(3,4-dihydroxyphenyl)chromenylium-3,5,7-triol
IUPAC Name: 2-(3,4-dihydroxyphenyl)chromenylium-3,5,7-triol
SYSTEMATIC NAME: 2-[3,4-bis(oxidanyl)phenyl]chromenylium-3,5,7-triol
MOLECULAR FORMULA: C15H11O6+
MOLECULAR WEIGHT: 287.24424
SMILES: C1=CC(=C(C=C1C2=C(C=C3C(=CC(=CC3=[O+]2)O)O)O)O)O
Structure:
CAS RN: 67482-93-3
CAS Name: (2S)-1-[(2S)-2-[[2-[[(2-aminophenyl)-oxomethyl]amino]-1-oxoethyl]amino]-3-(4-nitrophenyl)-1-oxopropyl]-2-pyrrolidinecarboxylic acid
OPENEYE Name: (2S)-1-[(2S)-2-[[2-[(2-aminobenzoyl)amino]acetyl]amino]-3-(4-nitrophenyl)propanoyl]pyrrolidine-2-carboxylic acid
IUPAC Name: (2S)-1-[(2S)-2-[[2-[(2-aminobenzoyl)amino]acetyl]amino]-3-(4-nitrophenyl)propanoyl]pyrrolidine-2-carboxylic acid
SYSTEMATIC NAME: (2S)-1-[(2S)-2-[2-[(2-aminophenyl)carbonylamino]ethanoylamino]-3-(4-nitrophenyl)propanoyl]pyrrolidine-2-carboxylic acid
MOLECULAR FORMULA: C23H25N5O7
MOLECULAR WEIGHT: 483.4739
SMILES: C1C[C@H](N(C1)C(=O)[C@H](CC2=CC=C(C=C2)[N+](=O)[O-])NC(=O)CNC(=O)C3=CC=CC=C3N)C(=O)O
Structure:
CAS RN: 13270-61-6
CAS Name: 2-(3,4,5-trihydroxyphenyl)-1-benzopyrylium-3,5,7-triol
OPENEYE Name: 2-(3,4,5-trihydroxyphenyl)chromenylium-3,5,7-triol
IUPAC Name: 2-(3,4,5-trihydroxyphenyl)chromenylium-3,5,7-triol
SYSTEMATIC NAME: 2-[3,4,5-tris(oxidanyl)phenyl]chromenylium-3,5,7-triol
MOLECULAR FORMULA: C15H11O7+
MOLECULAR WEIGHT: 303.24364
SMILES: C1=C(C=C(C(=C1O)O)O)C2=C(C=C3C(=CC(=CC3=[O+]2)O)O)O
Structure:
CAS RN: 37219-75-3
CAS Name: 2-(3,4,5-trihydroxyphenyl)-1-benzopyrylium-3,5,7-triol
OPENEYE Name: 2-(3,4,5-trihydroxyphenyl)chromenylium-3,5,7-triol
IUPAC Name: 2-(3,4,5-trihydroxyphenyl)chromenylium-3,5,7-triol
SYSTEMATIC NAME: 2-[3,4,5-tris(oxidanyl)phenyl]chromenylium-3,5,7-triol
MOLECULAR FORMULA: C15H11O7+
MOLECULAR WEIGHT: 303.24364
SMILES: C1=C(C=C(C(=C1O)O)O)C2=C(C=C3C(=CC(=CC3=[O+]2)O)O)O
Structure:
CAS RN: 13258-59-8
CAS Name: 2-ethyl-6-methyl-3-pyridinol hydrochloride
OPENEYE Name: 2-ethyl-6-methyl-pyridin-3-ol hydrochloride
IUPAC Name: 2-ethyl-6-methylpyridin-3-ol hydrochloride
SYSTEMATIC NAME: 2-ethyl-6-methyl-pyridin-3-ol hydrochloride
MOLECULAR FORMULA: C8H12ClNO
MOLECULAR WEIGHT: 173.63998
SMILES: CCC1=C(C=CC(=N1)C)O.Cl
Structure:
CAS RN: 13214-64-7
CAS Name: 2-[[(4-methoxyphenyl)-oxomethyl]amino]acetic acid
OPENEYE Name: 2-[(4-methoxybenzoyl)amino]acetic acid
IUPAC Name: 2-[(4-methoxybenzoyl)amino]acetic acid
SYSTEMATIC NAME: 2-[(4-methoxyphenyl)carbonylamino]ethanoic acid
MOLECULAR FORMULA: C10H11NO4
MOLECULAR WEIGHT: 209.19864
SMILES: COC1=CC=C(C=C1)C(=O)NCC(=O)O
Structure:
CAS RN: 1329-25-5
CAS Name: 6-benzofuranol
OPENEYE Name: benzofuran-6-ol
IUPAC Name: 1-benzofuran-6-ol
SYSTEMATIC NAME: 1-benzofuran-6-ol
MOLECULAR FORMULA: C8H6O2
MOLECULAR WEIGHT: 134.13204
SMILES: C1=CC(=CC2=C1C=CO2)O
Structure:
CAS RN: 68239-77-0
CAS Name: 5-[(4-chlorophenyl)methyl]-6-ethyl-3-hydroxy-2-imino-4-pyrimidinamine
OPENEYE Name: 5-[(4-chlorophenyl)methyl]-6-ethyl-3-hydroxy-2-imino-pyrimidin-4-amine
IUPAC Name: 5-[(4-chlorophenyl)methyl]-6-ethyl-3-hydroxy-2-iminopyrimidin-4-amine
SYSTEMATIC NAME: 2-azanylidene-5-[(4-chlorophenyl)methyl]-6-ethyl-3-oxidanyl-pyrimidin-4-amine
MOLECULAR FORMULA: C13H15ClN4O
MOLECULAR WEIGHT: 278.7374
SMILES: CCC1=NC(=N)N(C(=C1CC2=CC=C(C=C2)Cl)N)O
Structure:
CAS RN: 132739-31-2
CAS Name: 1-[(5-hydroxy-4-methoxy-1-cyclohex-2-enyl)methyl]-6-methoxy-7-isoquinolinol
OPENEYE Name: 1-[(5-hydroxy-4-methoxy-cyclohex-2-en-1-yl)methyl]-6-methoxy-isoquinolin-7-ol
IUPAC Name: 1-[(5-hydroxy-4-methoxycyclohex-2-en-1-yl)methyl]-6-methoxyisoquinolin-7-ol
SYSTEMATIC NAME: 6-methoxy-1-[(4-methoxy-5-oxidanyl-cyclohex-2-en-1-yl)methyl]isoquinolin-7-ol
MOLECULAR FORMULA: C18H21NO4
MOLECULAR WEIGHT: 315.36364
SMILES: COC1C=CC(CC1O)CC2=NC=CC3=CC(=C(C=C32)O)OC
Structure:
CAS RN: 13164-03-9
CAS Name: 6-(2-methylbut-3-en-2-yl)-7-furo[3,2-g][1]benzopyranone
OPENEYE Name: 6-(1,1-dimethylallyl)furo[3,2-g]chromen-7-one
IUPAC Name: 6-(2-methylbut-3-en-2-yl)furo[3,2-g]chromen-7-one
SYSTEMATIC NAME: 6-(2-methylbut-3-en-2-yl)furo[3,2-g]chromen-7-one
MOLECULAR FORMULA: C16H14O3
MOLECULAR WEIGHT: 254.28056
SMILES: CC(C)(C=C)C1=CC2=C(C=C3C(=C2)C=CO3)OC1=O
Structure:
CAS RN: 92986-22-6
CAS Name: 1,1,3,3,4,4,4a,5,5,6,6,7,7,8,8,8a-hexadecafluoro-2-(trifluoromethyl)isoquinoline
OPENEYE Name: 1,1,3,3,4,4,4a,5,5,6,6,7,7,8,8,8a-hexadecafluoro-2-(trifluoromethyl)isoquinoline
IUPAC Name: 1,1,3,3,4,4,4a,5,5,6,6,7,7,8,8,8a-hexadecafluoro-2-(trifluoromethyl)isoquinoline
SYSTEMATIC NAME: 1,1,3,3,4,4,4a,5,5,6,6,7,7,8,8,8a-hexadecakis(fluoranyl)-2-(trifluoromethyl)isoquinoline
MOLECULAR FORMULA: C10F19N
MOLECULAR WEIGHT: 495.083361
SMILES: C12(C(C(C(C(C1(F)F)(F)F)(F)F)(F)F)(C(N(C(C2(F)F)(F)F)C(F)(F)F)(F)F)F)F
Structure:
CAS RN: 92981-24-3
CAS Name: (2S)-1-[(2R,3S)-3-(acetylthio)-2-methyl-1,4-dioxo-4-phenylbutyl]-2-pyrrolidinecarboxylic acid
OPENEYE Name: (2S)-1-[(2R,3S)-3-acetylsulfanyl-2-methyl-4-oxo-4-phenyl-butanoyl]pyrrolidine-2-carboxylic acid
IUPAC Name: (2S)-1-[(2R,3S)-3-acetylsulfanyl-2-methyl-4-oxo-4-phenylbutanoyl]pyrrolidine-2-carboxylic acid
SYSTEMATIC NAME: (2S)-1-[(2R,3S)-3-ethanoylsulfanyl-2-methyl-4-oxidanylidene-4-phenyl-butanoyl]pyrrolidine-2-carboxylic acid
MOLECULAR FORMULA: C18H21NO5S
MOLECULAR WEIGHT: 363.42804
SMILES: C[C@@H]([C@@H](C(=O)C1=CC=CC=C1)SC(=O)C)C(=O)N2CCC[C@H]2C(=O)O
Structure:
CAS RN: 86604-69-5
CAS Name: 2-[(4-methoxy-3-methyl-2-pyridinyl)methylthio]-6-(trifluoromethyl)-1H-benzimidazole
OPENEYE Name: 2-[(4-methoxy-3-methyl-2-pyridyl)methylsulfanyl]-6-(trifluoromethyl)-1H-benzimidazole
IUPAC Name: 2-[(4-methoxy-3-methylpyridin-2-yl)methylsulfanyl]-6-(trifluoromethyl)-1H-benzimidazole
SYSTEMATIC NAME: 2-[(4-methoxy-3-methyl-pyridin-2-yl)methylsulfanyl]-6-(trifluoromethyl)-1H-benzimidazole
MOLECULAR FORMULA: C16H14F3N3OS
MOLECULAR WEIGHT: 353.36207
SMILES: CC1=C(C=CN=C1CSC2=NC3=C(N2)C=C(C=C3)C(F)(F)F)OC
Structure:
CAS RN: 92953-76-9
CAS Name: (4R)-3-nitroso-4-thiazolidinecarboxylic acid
OPENEYE Name: (4R)-3-nitrosothiazolidine-4-carboxylic acid
IUPAC Name: (4R)-3-nitroso-1,3-thiazolidine-4-carboxylic acid
SYSTEMATIC NAME: (4R)-3-nitroso-1,3-thiazolidine-4-carboxylic acid
MOLECULAR FORMULA: C4H6N2O3S
MOLECULAR WEIGHT: 162.16704
SMILES: C1[C@H](N(CS1)N=O)C(=O)O
Structure:
CAS RN: 92658-04-3
CAS Name: 1-[2-(3-amino-2-hydroxypropoxy)phenyl]-3-phenyl-1-propanone
OPENEYE Name: 1-[2-(3-amino-2-hydroxy-propoxy)phenyl]-3-phenyl-propan-1-one
IUPAC Name: 1-[2-(3-amino-2-hydroxypropoxy)phenyl]-3-phenylpropan-1-one
SYSTEMATIC NAME: 1-[2-(3-azanyl-2-oxidanyl-propoxy)phenyl]-3-phenyl-propan-1-one
MOLECULAR FORMULA: C18H21NO3
MOLECULAR WEIGHT: 299.36424
SMILES: C1=CC=C(C=C1)CCC(=O)C2=CC=CC=C2OCC(CN)O
Structure:
CAS RN: 91516-85-7
CAS Name: 2-amino-9-[(2-hydroxy-2-oxo-1,3,2$l^{5}-dioxaphosphorinan-5-yl)oxymethyl]-3H-purin-6-one
OPENEYE Name: 2-amino-9-[(2-hydroxy-2-oxo-1,3,2$l^{5}-dioxaphosphinan-5-yl)oxymethyl]-3H-purin-6-one
IUPAC Name: 2-amino-9-[(2-hydroxy-2-oxo-1,3,2$l^{5}-dioxaphosphinan-5-yl)oxymethyl]-3H-purin-6-one
SYSTEMATIC NAME: 2-azanyl-9-[(2-oxidanyl-2-oxidanylidene-1,3,2$l^{5}-dioxaphosphinan-5-yl)oxymethyl]-3H-purin-6-one
MOLECULAR FORMULA: C9H12N5O6P
MOLECULAR WEIGHT: 317.195241
SMILES: C1C(COP(=O)(O1)O)OCN2C=NC3=C2NC(=NC3=O)N
Structure:
CAS RN: 86357-22-4
CAS Name: sodium 2-amino-9-[(2-hydroxy-2-oxo-1,3,2$l^{5}-dioxaphosphorinan-5-yl)oxymethyl]-3H-purin-6-one
OPENEYE Name: sodium 2-amino-9-[(2-hydroxy-2-oxo-1,3,2$l^{5}-dioxaphosphinan-5-yl)oxymethyl]-3H-purin-6-one
IUPAC Name: sodium 2-amino-9-[(2-hydroxy-2-oxo-1,3,2$l^{5}-dioxaphosphinan-5-yl)oxymethyl]-3H-purin-6-one
SYSTEMATIC NAME: sodium 2-azanyl-9-[(2-oxidanyl-2-oxidanylidene-1,3,2$l^{5}-dioxaphosphinan-5-yl)oxymethyl]-3H-purin-6-one
MOLECULAR FORMULA: C9H12N5NaO6P+
MOLECULAR WEIGHT: 340.185011
SMILES: C1C(COP(=O)(O1)O)OCN2C=NC3=C2NC(=NC3=O)N.[Na+]
Structure:
CAS RN: 92601-69-9
CAS Name: (7S,9S)-6,7,9,11-tetrahydroxy-9-(2-hydroxy-1-oxoethyl)-8,10-dihydro-7H-tetracene-5,12-dione
OPENEYE Name: (7S,9S)-6,7,9,11-tetrahydroxy-9-(2-hydroxyacetyl)-8,10-dihydro-7H-tetracene-5,12-dione
IUPAC Name: (7S,9S)-6,7,9,11-tetrahydroxy-9-(2-hydroxyacetyl)-8,10-dihydro-7H-tetracene-5,12-dione
SYSTEMATIC NAME: (7S,9S)-6,7,9,11-tetrakis(oxidanyl)-9-(2-oxidanylethanoyl)-8,10-dihydro-7H-tetracene-5,12-dione
MOLECULAR FORMULA: C20H16O8
MOLECULAR WEIGHT: 384.33624
SMILES: C1[C@@H](C2=C(C3=C(C(=C2C[C@]1(C(=O)CO)O)O)C(=O)C4=CC=CC=C4C3=O)O)O
Structure:
CAS RN: 222834-30-2
CAS Name: (2R)-2-ethoxy-3-[4-[2-(10-phenoxazinyl)ethoxy]phenyl]propanoic acid
OPENEYE Name: (2R)-2-ethoxy-3-[4-(2-phenoxazin-10-ylethoxy)phenyl]propanoic acid
IUPAC Name: (2R)-2-ethoxy-3-[4-(2-phenoxazin-10-ylethoxy)phenyl]propanoic acid
SYSTEMATIC NAME: (2R)-2-ethoxy-3-[4-(2-phenoxazin-10-ylethoxy)phenyl]propanoic acid
MOLECULAR FORMULA: C25H25NO5
MOLECULAR WEIGHT: 419.4697
SMILES: CCO[C@H](CC1=CC=C(C=C1)OCCN2C3=CC=CC=C3OC4=CC=CC=C42)C(=O)O
Structure:
CAS RN: 105172-95-0
CAS Name: octanoic acid [(2R)-3-[hydroxy-[(2R,3S,5R,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxy-2-(1-oxooctoxy)propyl] ester
OPENEYE Name: [(2R)-3-[hydroxy-[(2R,3S,5R,6R)-2,3,4,5,6-pentahydroxycyclohexoxy]phosphoryl]oxy-2-octanoyloxy-propyl] octanoate
IUPAC Name: [(2R)-3-[hydroxy-[(2R,3S,5R,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxy-2-octanoyloxypropyl] octanoate
SYSTEMATIC NAME: [(2R)-2-octanoyloxy-3-[oxidanyl-[(2R,3S,5R,6R)-2,3,4,5,6-pentakis(oxidanyl)cyclohexyl]oxy-phosphoryl]oxy-propyl] octanoate
MOLECULAR FORMULA: C25H47O13P
MOLECULAR WEIGHT: 586.606641
SMILES: CCCCCCCC(=O)OC[C@H](COP(=O)(O)OC1[C@@H]([C@H](C([C@H]([C@H]1O)O)O)O)O)OC(=O)CCCCCCC
Structure:
CAS RN: 105172-88-1
CAS Name: 2,4,6,7-tetramethyl-2-(4,8,12-trimethyltridecyl)-3H-benzofuran-5-ol
OPENEYE Name: 2,4,6,7-tetramethyl-2-(4,8,12-trimethyltridecyl)-3H-benzofuran-5-ol
IUPAC Name: 2,4,6,7-tetramethyl-2-(4,8,12-trimethyltridecyl)-3H-1-benzofuran-5-ol
SYSTEMATIC NAME: 2,4,6,7-tetramethyl-2-(4,8,12-trimethyltridecyl)-3H-1-benzofuran-5-ol
MOLECULAR FORMULA: C28H48O2
MOLECULAR WEIGHT: 416.67952
SMILES: CC1=C(C(=C2CC(OC2=C1C)(C)CCCC(C)CCCC(C)CCCC(C)C)C)O
Structure:
CAS RN: 105165-23-9
CAS Name: acetic acid [(1R,3aS,3bR,9aR,9bS,11aS)-1-acetyl-5-chloro-9a,11a-dimethyl-7-oxo-3,3a,3b,8,9,9b,10,11-octahydro-2H-indeno[4,5-h]isoquinolin-1-yl] ester
OPENEYE Name: [(1R,3aS,3bR,9aR,9bS,11aS)-1-acetyl-5-chloro-9a,11a-dimethyl-7-oxo-3,3a,3b,8,9,9b,10,11-octahydro-2H-indeno[4,5-h]isoquinolin-1-yl] acetate
IUPAC Name: [(1R,3aS,3bR,9aR,9bS,11aS)-1-acetyl-5-chloro-9a,11a-dimethyl-7-oxo-3,3a,3b,8,9,9b,10,11-octahydro-2H-indeno[4,5-h]isoquinolin-1-yl] acetate
SYSTEMATIC NAME: [(1R,3aS,3bR,9aR,9bS,11aS)-5-chloranyl-1-ethanoyl-9a,11a-dimethyl-7-oxidanylidene-3,3a,3b,8,9,9b,10,11-octahydro-2H-indeno[4,5-h]isoquinolin-1-yl] ethanoate
MOLECULAR FORMULA: C22H28ClNO4
MOLECULAR WEIGHT: 405.91502
SMILES: CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C=C(C4=CC(=O)NC[C@]34C)Cl)C)OC(=O)C
Structure:
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