CAS RN: 64552-19-8
CAS Name: 1-(5-methoxy-1H-indol-3-yl)-2-propanamine hydrochloride
OPENEYE Name: 1-(5-methoxy-1H-indol-3-yl)propan-2-amine hydrochloride
IUPAC Name: 1-(5-methoxy-1H-indol-3-yl)propan-2-amine hydrochloride
SYSTEMATIC NAME: 1-(5-methoxy-1H-indol-3-yl)propan-2-amine hydrochloride
MOLECULAR FORMULA: C12H17ClN2O
MOLECULAR WEIGHT: 240.72918
SMILES: CC(CC1=CNC2=C1C=C(C=C2)OC)N.Cl
Structure:
CAS RN: 64314-16-5
CAS Name: 1-[(6S)-9-azabicyclo[4.2.1]non-4-en-5-yl]ethanone hydrochloride
OPENEYE Name: 1-[(6S)-9-azabicyclo[4.2.1]non-4-en-5-yl]ethanone hydrochloride
IUPAC Name: 1-[(6S)-9-azabicyclo[4.2.1]non-4-en-5-yl]ethanone hydrochloride
SYSTEMATIC NAME: 1-[(6S)-9-azabicyclo[4.2.1]non-4-en-5-yl]ethanone hydrochloride
MOLECULAR FORMULA: C10H16ClNO
MOLECULAR WEIGHT: 201.69314
SMILES: CC(=O)C1=CCCC2CC[C@@H]1N2.Cl
Structure:
CAS RN: 64059-68-3
CAS Name: thieno[3,2-c]phenanthridine
OPENEYE Name: thieno[3,2-c]phenanthridine
IUPAC Name: thieno[3,2-c]phenanthridine
SYSTEMATIC NAME: thieno[3,2-c]phenanthridine
MOLECULAR FORMULA: C15H9NS
MOLECULAR WEIGHT: 235.30366
SMILES: C1=CC=C2C3=C(C4=C(C=C3)C=CS4)N=CC2=C1
Structure:
CAS RN: 43033-71-2
CAS Name: acetic acid [(3S,6S)-6-(methylamino)-4,4-diphenylheptan-3-yl] ester
OPENEYE Name: [(1S,4S)-1-ethyl-4-(methylamino)-2,2-diphenyl-pentyl] acetate
IUPAC Name: [(3S,6S)-6-(methylamino)-4,4-diphenylheptan-3-yl] acetate
SYSTEMATIC NAME: [(3S,6S)-6-(methylamino)-4,4-diphenyl-heptan-3-yl] ethanoate
MOLECULAR FORMULA: C22H29NO2
MOLECULAR WEIGHT: 339.47116
SMILES: CC[C@@H](C(C[C@H](C)NC)(C1=CC=CC=C1)C2=CC=CC=C2)OC(=O)C
Structure:
CAS RN: 55096-75-8
CAS Name: acetic acid [(3S,6S)-6-(methylamino)-4,4-diphenylheptan-3-yl] ester hydrochloride
OPENEYE Name: [(1S,4S)-1-ethyl-4-(methylamino)-2,2-diphenyl-pentyl] acetate hydrochloride
IUPAC Name: [(3S,6S)-6-(methylamino)-4,4-diphenylheptan-3-yl] acetate hydrochloride
SYSTEMATIC NAME: [(3S,6S)-6-(methylamino)-4,4-diphenyl-heptan-3-yl] ethanoate hydrochloride
MOLECULAR FORMULA: C22H30ClNO2
MOLECULAR WEIGHT: 375.9321
SMILES: CC[C@@H](C(C[C@H](C)NC)(C1=CC=CC=C1)C2=CC=CC=C2)OC(=O)C.Cl
Structure:
CAS RN: 55042-30-3
CAS Name: 2-bromoacetic acid [(2R,8S,9S,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-2-yl] ester
OPENEYE Name: [(2R,8S,9S,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-2-yl] 2-bromoacetate
IUPAC Name: [(2R,8S,9S,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-2-yl] 2-bromoacetate
SYSTEMATIC NAME: [(2R,8S,9S,10R,13S,14S,17S)-17-ethanoyl-10,13-dimethyl-3-oxidanylidene-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-2-yl] 2-bromanylethanoate
MOLECULAR FORMULA: C23H31BrO4
MOLECULAR WEIGHT: 451.39384
SMILES: CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)[C@@H](C[C@]34C)OC(=O)CBr)C
Structure:
CAS RN: 54854-89-6
CAS Name: (2R)-6-(2-methoxyethyl)-2,5,7-trimethyl-2,3-dihydroinden-1-one
OPENEYE Name: (2R)-6-(2-methoxyethyl)-2,5,7-trimethyl-indan-1-one
IUPAC Name: (2R)-6-(2-methoxyethyl)-2,5,7-trimethyl-2,3-dihydroinden-1-one
SYSTEMATIC NAME: (2R)-6-(2-methoxyethyl)-2,5,7-trimethyl-2,3-dihydroinden-1-one
MOLECULAR FORMULA: C15H20O2
MOLECULAR WEIGHT: 232.3181
SMILES: C[C@@H]1CC2=CC(=C(C(=C2C1=O)C)CCOC)C
Structure:
CAS RN: 53860-19-8
CAS Name: 1,5-bis[(4-chlorophenyl)methoxy]cyclooctane
OPENEYE Name: 1,5-bis[(4-chlorophenyl)methoxy]cyclooctane
IUPAC Name: 1,5-bis[(4-chlorophenyl)methoxy]cyclooctane
SYSTEMATIC NAME: 1,5-bis[(4-chlorophenyl)methoxy]cyclooctane
MOLECULAR FORMULA: C22H26Cl2O2
MOLECULAR WEIGHT: 393.34664
SMILES: C1CC(CCCC(C1)OCC2=CC=C(C=C2)Cl)OCC3=CC=C(C=C3)Cl
Structure:
CAS RN: 53774-93-9
CAS Name: 2,8-bis(1-naphthalenylmethyl)-1-cyclooctanone
OPENEYE Name: 2,8-bis(1-naphthylmethyl)cyclooctanone
IUPAC Name: 2,8-bis(naphthalen-1-ylmethyl)cyclooctan-1-one
SYSTEMATIC NAME: 2,8-bis(naphthalen-1-ylmethyl)cyclooctan-1-one
MOLECULAR FORMULA: C30H30O
MOLECULAR WEIGHT: 406.5586
SMILES: C1CCC(C(=O)C(CC1)CC2=CC=CC3=CC=CC=C32)CC4=CC=CC5=CC=CC=C54
Structure:
CAS RN: 53833-85-5
CAS Name: acetic acid [(1S,3R,5S)-2-methylene-5-propan-2-yl-3-bicyclo[3.1.0]hexanyl] ester
OPENEYE Name: [(1S,3R,5S)-5-isopropyl-2-methylene-3-bicyclo[3.1.0]hexanyl] acetate
IUPAC Name: [(1S,3R,5S)-2-methylidene-5-propan-2-yl-3-bicyclo[3.1.0]hexanyl] acetate
SYSTEMATIC NAME: [(1S,3R,5S)-2-methylidene-5-propan-2-yl-3-bicyclo[3.1.0]hexanyl] ethanoate
MOLECULAR FORMULA: C12H18O2
MOLECULAR WEIGHT: 194.27012
SMILES: CC(C)[C@@]12C[C@@H]1C(=C)[C@@H](C2)OC(=O)C
Structure:
CAS RN: 53819-79-7
CAS Name: (2S,3S,4S,5R)-6-[4-(2,5-dioxo-4-phenyl-4-imidazolidinyl)phenoxy]-3,4,5-trihydroxy-2-oxanecarboxylic acid
OPENEYE Name: (2S,3S,4S,5R)-6-[4-(2,5-dioxo-4-phenyl-imidazolidin-4-yl)phenoxy]-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid
IUPAC Name: (2S,3S,4S,5R)-6-[4-(2,5-dioxo-4-phenylimidazolidin-4-yl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
SYSTEMATIC NAME: (2S,3S,4S,5R)-6-[4-[2,5-bis(oxidanylidene)-4-phenyl-imidazolidin-4-yl]phenoxy]-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid
MOLECULAR FORMULA: C21H20N2O9
MOLECULAR WEIGHT: 444.3915
SMILES: C1=CC=C(C=C1)C2(C(=O)NC(=O)N2)C3=CC=C(C=C3)OC4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O
Structure:
CAS RN: 53774-87-1
CAS Name: 1-methyl-2,8-bis(phenylmethyl)-1-cyclooctanol
OPENEYE Name: 2,8-dibenzyl-1-methyl-cyclooctanol
IUPAC Name: 2,8-dibenzyl-1-methylcyclooctan-1-ol
SYSTEMATIC NAME: 1-methyl-2,8-bis(phenylmethyl)cyclooctan-1-ol
MOLECULAR FORMULA: C23H30O
MOLECULAR WEIGHT: 322.4837
SMILES: CC1(C(CCCCCC1CC2=CC=CC=C2)CC3=CC=CC=C3)O
Structure:
CAS RN: 53660-23-4
CAS Name: 5-hydroxy-2-propylpentanoic acid
OPENEYE Name: 5-hydroxy-2-propyl-pentanoic acid
IUPAC Name: 5-hydroxy-2-propylpentanoic acid
SYSTEMATIC NAME: 5-oxidanyl-2-propyl-pentanoic acid
MOLECULAR FORMULA: C8H16O3
MOLECULAR WEIGHT: 160.21084
SMILES: CCCC(CCCO)C(=O)O
Structure:
CAS RN: 76093-34-0
CAS Name: 5-hydroxy-2-propylpentanoic acid
OPENEYE Name: 5-hydroxy-2-propyl-pentanoic acid
IUPAC Name: 5-hydroxy-2-propylpentanoic acid
SYSTEMATIC NAME: 5-oxidanyl-2-propyl-pentanoic acid
MOLECULAR FORMULA: C8H16O3
MOLECULAR WEIGHT: 160.21084
SMILES: CCCC(CCCO)C(=O)O
Structure:
CAS RN: 53308-83-1
CAS Name: acetic acid; (2S)-2-amino-5-[[amino(methylimino)methyl]amino]pentanoic acid
OPENEYE Name: acetic acid; (2S)-2-amino-5-[(N'-methylcarbamimidoyl)amino]pentanoic acid
IUPAC Name: acetic acid; (2S)-2-amino-5-[(N'-methylcarbamimidoyl)amino]pentanoic acid
SYSTEMATIC NAME: (2S)-2-azanyl-5-[(N'-methylcarbamimidoyl)amino]pentanoic acid; ethanoic acid
MOLECULAR FORMULA: C9H20N4O4
MOLECULAR WEIGHT: 248.2795
SMILES: CC(=O)O.CN=C(N)NCCC[C@@H](C(=O)O)N
Structure:
CAS RN: 5452-48-2
CAS Name: (5R,8S,10S,11S,13S,14S,17R)-9-fluoro-11,17-dihydroxy-10,13,17-trimethyl-1,2,4,5,6,7,8,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one
OPENEYE Name: (5R,8S,10S,11S,13S,14S,17R)-9-fluoro-11,17-dihydroxy-10,13,17-trimethyl-1,2,4,5,6,7,8,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one
IUPAC Name: (5R,8S,10S,11S,13S,14S,17R)-9-fluoro-11,17-dihydroxy-10,13,17-trimethyl-1,2,4,5,6,7,8,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one
SYSTEMATIC NAME: (5R,8S,10S,11S,13S,14S,17R)-9-fluoranyl-10,13,17-trimethyl-11,17-bis(oxidanyl)-1,2,4,5,6,7,8,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one
MOLECULAR FORMULA: C20H31FO3
MOLECULAR WEIGHT: 338.456743
SMILES: C[C@]12CCC(=O)C[C@H]1CC[C@@H]3C2([C@H](C[C@]4([C@H]3CC[C@@]4(C)O)C)O)F
Structure:
CAS RN: 53649-13-1
CAS Name: (5R,8S,10S,11S,13S,14S,17R)-9-fluoro-11,17-dihydroxy-10,13,17-trimethyl-1,2,4,5,6,7,8,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one
OPENEYE Name: (5R,8S,10S,11S,13S,14S,17R)-9-fluoro-11,17-dihydroxy-10,13,17-trimethyl-1,2,4,5,6,7,8,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one
IUPAC Name: (5R,8S,10S,11S,13S,14S,17R)-9-fluoro-11,17-dihydroxy-10,13,17-trimethyl-1,2,4,5,6,7,8,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one
SYSTEMATIC NAME: (5R,8S,10S,11S,13S,14S,17R)-9-fluoranyl-10,13,17-trimethyl-11,17-bis(oxidanyl)-1,2,4,5,6,7,8,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one
MOLECULAR FORMULA: C20H31FO3
MOLECULAR WEIGHT: 338.456743
SMILES: C[C@]12CCC(=O)C[C@H]1CC[C@@H]3C2([C@H](C[C@]4([C@H]3CC[C@@]4(C)O)C)O)F
Structure:
CAS RN: 52740-56-4
CAS Name: 1-(4-methoxyphenyl)-2-propanamine hydrochloride
OPENEYE Name: 1-(4-methoxyphenyl)propan-2-amine hydrochloride
IUPAC Name: 1-(4-methoxyphenyl)propan-2-amine hydrochloride
SYSTEMATIC NAME: 1-(4-methoxyphenyl)propan-2-amine hydrochloride
MOLECULAR FORMULA: C10H16ClNO
MOLECULAR WEIGHT: 201.69314
SMILES: CC(CC1=CC=C(C=C1)OC)N.Cl
Structure:
CAS RN: 3706-26-1
CAS Name: 1-(4-methoxyphenyl)-2-propanamine hydrochloride
OPENEYE Name: 1-(4-methoxyphenyl)propan-2-amine hydrochloride
IUPAC Name: 1-(4-methoxyphenyl)propan-2-amine hydrochloride
SYSTEMATIC NAME: 1-(4-methoxyphenyl)propan-2-amine hydrochloride
MOLECULAR FORMULA: C10H16ClNO
MOLECULAR WEIGHT: 201.69314
SMILES: CC(CC1=CC=C(C=C1)OC)N.Cl
Structure:
CAS RN: 53700-95-1
CAS Name: eicosa-2,4,6,8-tetraynoic acid
OPENEYE Name: icosa-2,4,6,8-tetraynoic acid
IUPAC Name: icosa-2,4,6,8-tetraynoic acid
SYSTEMATIC NAME: icosa-2,4,6,8-tetraynoic acid
MOLECULAR FORMULA: C20H24O2
MOLECULAR WEIGHT: 296.40336
SMILES: CCCCCCCCCCCC#CC#CC#CC#CC(=O)O
Structure:
CAS RN: 53666-75-4
CAS Name: acetic acid [(8S,9S,10R,11S,13S,14S,17R)-11-hydroxy-17-(2-hydroxy-1-oxoethyl)-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl] ester
OPENEYE Name: [(8S,9S,10R,11S,13S,14S,17R)-11-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl] acetate
IUPAC Name: [(8S,9S,10R,11S,13S,14S,17R)-11-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl] acetate
SYSTEMATIC NAME: [(8S,9S,10R,11S,13S,14S,17R)-10,13-dimethyl-11-oxidanyl-17-(2-oxidanylethanoyl)-3-oxidanylidene-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl] ethanoate
MOLECULAR FORMULA: C23H30O6
MOLECULAR WEIGHT: 402.4807
SMILES: CC(=O)O[C@@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)C=C[C@]34C)O)C)C(=O)CO
Structure:
CAS RN: 86416-32-2
CAS Name: 2-hydroxy-1-[(3S,9R,10S,13S,14R,17S)-3-hydroxy-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
OPENEYE Name: 2-hydroxy-1-[(3S,9R,10S,13S,14R,17S)-3-hydroxy-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
IUPAC Name: 2-hydroxy-1-[(3S,9R,10S,13S,14R,17S)-3-hydroxy-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
SYSTEMATIC NAME: 1-[(3S,9R,10S,13S,14R,17S)-10,13-dimethyl-3-oxidanyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxidanyl-ethanone
MOLECULAR FORMULA: C21H30O3
MOLECULAR WEIGHT: 330.4611
SMILES: C[C@]12CC[C@@H]3C(=CC=C4[C@]3(CC[C@@H](C4)O)C)[C@@H]1CC[C@@H]2C(=O)CO
Structure:
CAS RN: 86413-77-6
CAS Name: (2S,3S,4aR,12bR)-2,3,4a,8,12b-pentahydroxy-3-methyl-2,4,5,6-tetrahydrobenzo[a]anthracene-1,7,12-trione
OPENEYE Name: (2S,3S,4aR,12bR)-2,3,4a,8,12b-pentahydroxy-3-methyl-2,4,5,6-tetrahydrobenzo[a]anthracene-1,7,12-trione
IUPAC Name: (2S,3S,4aR,12bR)-2,3,4a,8,12b-pentahydroxy-3-methyl-2,4,5,6-tetrahydrobenzo[a]anthracene-1,7,12-trione
SYSTEMATIC NAME: (2S,3S,4aR,12bR)-3-methyl-2,3,4a,8,12b-pentakis(oxidanyl)-2,4,5,6-tetrahydrobenzo[a]anthracene-1,7,12-trione
MOLECULAR FORMULA: C19H18O8
MOLECULAR WEIGHT: 374.34142
SMILES: C[C@@]1(C[C@@]2(CCC3=C([C@@]2(C(=O)[C@H]1O)O)C(=O)C4=C(C3=O)C(=CC=C4)O)O)O
Structure:
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