CAS RN: 6340-87-0
CAS Name: 2,2,2-trichloro-N-(4-hydroxyphenyl)acetamide
OPENEYE Name: 2,2,2-trichloro-N-(4-hydroxyphenyl)acetamide
IUPAC Name: 2,2,2-trichloro-N-(4-hydroxyphenyl)acetamide
SYSTEMATIC NAME: 2,2,2-tris(chloranyl)-N-(4-hydroxyphenyl)ethanamide
MOLECULAR FORMULA: C8H6Cl3NO2
MOLECULAR WEIGHT: 254.49774
SMILES: C1=CC(=CC=C1NC(=O)C(Cl)(Cl)Cl)O
Structure:
CAS RN: 72146-54-4
CAS Name: 1-(4-chloroanilino)-1-cyclopentanecarboxamide
OPENEYE Name: 1-(4-chloroanilino)cyclopentanecarboxamide
IUPAC Name: 1-(4-chloroanilino)cyclopentane-1-carboxamide
SYSTEMATIC NAME: 1-[(4-chlorophenyl)amino]cyclopentane-1-carboxamide
MOLECULAR FORMULA: C12H15ClN2O
MOLECULAR WEIGHT: 238.7133
SMILES: C1CCC(C1)(C(=O)N)NC2=CC=C(C=C2)Cl
Structure:
CAS RN: 6340-84-7
CAS Name: 1-(4-chloroanilino)-1-cyclopentanecarboxylic acid
OPENEYE Name: 1-(4-chloroanilino)cyclopentanecarboxylic acid
IUPAC Name: 1-(4-chloroanilino)cyclopentane-1-carboxylic acid
SYSTEMATIC NAME: 1-[(4-chlorophenyl)amino]cyclopentane-1-carboxylic acid
MOLECULAR FORMULA: C12H14ClNO2
MOLECULAR WEIGHT: 239.69806
SMILES: C1CCC(C1)(C(=O)O)NC2=CC=C(C=C2)Cl
Structure:
CAS RN: 72143-25-0
CAS Name: 1-(4-chloroanilino)-1-cyclopentanecarboxylic acid
OPENEYE Name: 1-(4-chloroanilino)cyclopentanecarboxylic acid
IUPAC Name: 1-(4-chloroanilino)cyclopentane-1-carboxylic acid
SYSTEMATIC NAME: 1-[(4-chlorophenyl)amino]cyclopentane-1-carboxylic acid
MOLECULAR FORMULA: C12H14ClNO2
MOLECULAR WEIGHT: 239.69806
SMILES: C1CCC(C1)(C(=O)O)NC2=CC=C(C=C2)Cl
Structure:
CAS RN: 72143-24-9
CAS Name: 1-(4-chloroanilino)-1-cyclopentanecarbonitrile
OPENEYE Name: 1-(4-chloroanilino)cyclopentanecarbonitrile
IUPAC Name: 1-(4-chloroanilino)cyclopentane-1-carbonitrile
SYSTEMATIC NAME: 1-[(4-chlorophenyl)amino]cyclopentane-1-carbonitrile
MOLECULAR FORMULA: C12H13ClN2
MOLECULAR WEIGHT: 220.69802
SMILES: C1CCC(C1)(C#N)NC2=CC=C(C=C2)Cl
Structure:
CAS RN: 51005-67-5
CAS Name: (8S,9S,10R,14S)-10,17-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
OPENEYE Name: (8S,9S,10R,14S)-10,17-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
IUPAC Name: (8S,9S,10R,14S)-10,17-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
SYSTEMATIC NAME: (8S,9S,10R,14S)-10,17-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
MOLECULAR FORMULA: C19H26O
MOLECULAR WEIGHT: 270.40914
SMILES: CC1=C2CC[C@H]3[C@H]([C@@H]2CC1)CCC4=CC(=O)CC[C@]34C
Structure:
CAS RN: 17597-24-9
CAS Name: (3R,5R,6S,8R,9S,10R,13S,14S)-3,6-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one
OPENEYE Name: (3R,5R,6S,8R,9S,10R,13S,14S)-3,6-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one
IUPAC Name: (3R,5R,6S,8R,9S,10R,13S,14S)-3,6-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one
SYSTEMATIC NAME: (3R,5R,6S,8R,9S,10R,13S,14S)-10,13-dimethyl-3,6-bis(oxidanyl)-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one
MOLECULAR FORMULA: C19H30O3
MOLECULAR WEIGHT: 306.4397
SMILES: C[C@]12CC[C@H](C[C@H]1[C@H](C[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C)O)O
Structure:
CAS RN: 26263-39-8
CAS Name: (3aS,3bS,5aR,6R,8aS,8bR,10aS)-3a,5a-dimethyl-6-[(2R)-6-methylheptan-2-yl]-3,3b,4,5,6,7,8,8a,8b,9,10,10a-dodecahydro-1H-indeno[5,4-e]inden-2-one
OPENEYE Name: (3aS,3bS,5aR,6R,8aS,8bR,10aS)-6-[(1R)-1,5-dimethylhexyl]-3a,5a-dimethyl-3,3b,4,5,6,7,8,8a,8b,9,10,10a-dodecahydro-1H-indeno[5,4-e]inden-2-one
IUPAC Name: (3aS,3bS,5aR,6R,8aS,8bR,10aS)-3a,5a-dimethyl-6-[(2R)-6-methylheptan-2-yl]-3,3b,4,5,6,7,8,8a,8b,9,10,10a-dodecahydro-1H-indeno[5,4-e]inden-2-one
SYSTEMATIC NAME: (3aS,3bS,5aR,6R,8aS,8bR,10aS)-3a,5a-dimethyl-6-[(2R)-6-methylheptan-2-yl]-3,3b,4,5,6,7,8,8a,8b,9,10,10a-dodecahydro-1H-indeno[5,4-e]inden-2-one
MOLECULAR FORMULA: C26H44O
MOLECULAR WEIGHT: 372.62696
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC(=O)C4)C)C
Structure:
CAS RN: 7359-55-9
CAS Name: (3R,3aR,5aS,5bR,8S,10aS,10bS)-3a,5b-dimethyl-3-[(2R)-6-methylheptan-2-yl]-1,2,3,4,5,5a,6,7,8,9,10a,10b-dodecahydrocyclopenta[a]fluoren-8-ol
OPENEYE Name: (3R,3aR,5aS,5bR,8S,10aS,10bS)-3-[(1R)-1,5-dimethylhexyl]-3a,5b-dimethyl-1,2,3,4,5,5a,6,7,8,9,10a,10b-dodecahydrocyclopenta[a]fluoren-8-ol
IUPAC Name: (3R,3aR,5aS,5bR,8S,10aS,10bS)-3a,5b-dimethyl-3-[(2R)-6-methylheptan-2-yl]-1,2,3,4,5,5a,6,7,8,9,10a,10b-dodecahydrocyclopenta[a]fluoren-8-ol
SYSTEMATIC NAME: (3R,3aR,5aS,5bR,8S,10aS,10bS)-3a,5b-dimethyl-3-[(2R)-6-methylheptan-2-yl]-1,2,3,4,5,5a,6,7,8,9,10a,10b-dodecahydrocyclopenta[a]fluoren-8-ol
MOLECULAR FORMULA: C26H44O
MOLECULAR WEIGHT: 372.62696
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C=C4[C@@]3(CC[C@@H](C4)O)C)C
Structure:
CAS RN: 30866-58-1
CAS Name: (3R,3aR,5aS,5bR,10aS,10bS)-3a,5b-dimethyl-3-[(2R)-6-methylheptan-2-yl]-2,3,4,5,5a,6,7,10,10a,10b-decahydro-1H-cyclopenta[a]fluoren-8-one
OPENEYE Name: (3R,3aR,5aS,5bR,10aS,10bS)-3-[(1R)-1,5-dimethylhexyl]-3a,5b-dimethyl-2,3,4,5,5a,6,7,10,10a,10b-decahydro-1H-cyclopenta[a]fluoren-8-one
IUPAC Name: (3R,3aR,5aS,5bR,10aS,10bS)-3a,5b-dimethyl-3-[(2R)-6-methylheptan-2-yl]-2,3,4,5,5a,6,7,10,10a,10b-decahydro-1H-cyclopenta[a]fluoren-8-one
SYSTEMATIC NAME: (3R,3aR,5aS,5bR,10aS,10bS)-3a,5b-dimethyl-3-[(2R)-6-methylheptan-2-yl]-2,3,4,5,5a,6,7,10,10a,10b-decahydro-1H-cyclopenta[a]fluoren-8-one
MOLECULAR FORMULA: C26H42O
MOLECULAR WEIGHT: 370.61108
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC4=CC(=O)CC[C@]34C)C
Structure:
CAS RN: 80238-12-6
CAS Name: (4aS,4bR,10aR,10bS,12aS)-10a,12a-dimethyl-4,4a,4b,9,10,10b,11,12-octahydro-3H-naphtho[2,1-f][1]benzopyran-2,8-dione
OPENEYE Name: (4aS,4bR,10aR,10bS,12aS)-10a,12a-dimethyl-4,4a,4b,9,10,10b,11,12-octahydro-3H-naphtho[2,1-f]chromene-2,8-dione
IUPAC Name: (4aS,4bR,10aR,10bS,12aS)-10a,12a-dimethyl-4,4a,4b,9,10,10b,11,12-octahydro-3H-naphtho[2,1-f]chromene-2,8-dione
SYSTEMATIC NAME: (4aS,4bR,10aR,10bS,12aS)-10a,12a-dimethyl-4,4a,4b,9,10,10b,11,12-octahydro-3H-naphtho[2,1-f]chromene-2,8-dione
MOLECULAR FORMULA: C19H24O3
MOLECULAR WEIGHT: 300.39206
SMILES: C[C@]12CCC(=O)C=C1C=C[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC(=O)O4)C
Structure:
CAS RN: 1617-72-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C30H50O2
MOLECULAR WEIGHT: 442.7168
SMILES: CC1(CCC23CCC4(C(C2C1OC3)CCC5C4(CCC6C5(CCC(C6(C)C)O)C)C)C)C
Structure:
CAS RN: 2345-27-9
CAS Name: acetic acid [(4aS,4bR,6aS,8S,10aS,10bS,12aS)-10a,12a-dimethyl-3,4,4a,4b,5,6,6a,7,8,9,10,10b,11,12-tetradecahydro-2H-naphtho[2,1-f][1]benzopyran-8-yl] ester
OPENEYE Name: [(4aS,4bR,6aS,8S,10aS,10bS,12aS)-10a,12a-dimethyl-3,4,4a,4b,5,6,6a,7,8,9,10,10b,11,12-tetradecahydro-2H-naphtho[2,1-f]chromen-8-yl] acetate
IUPAC Name: [(4aS,4bR,6aS,8S,10aS,10bS,12aS)-10a,12a-dimethyl-3,4,4a,4b,5,6,6a,7,8,9,10,10b,11,12-tetradecahydro-2H-naphtho[2,1-f]chromen-8-yl] acetate
SYSTEMATIC NAME: [(4aS,4bR,6aS,8S,10aS,10bS,12aS)-10a,12a-dimethyl-3,4,4a,4b,5,6,6a,7,8,9,10,10b,11,12-tetradecahydro-2H-naphtho[2,1-f]chromen-8-yl] ethanoate
MOLECULAR FORMULA: C21H34O3
MOLECULAR WEIGHT: 334.49286
SMILES: CC(=O)O[C@H]1CC[C@]2([C@H](C1)CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCCO4)C)C
Structure:
CAS RN: 571-20-0
CAS Name: (3S,5S,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol
OPENEYE Name: (3S,5S,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol
IUPAC Name: (3S,5S,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol
SYSTEMATIC NAME: (3S,5S,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol
MOLECULAR FORMULA: C19H32O2
MOLECULAR WEIGHT: 292.45618
SMILES: C[C@]12CC[C@@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4O)C)O
Structure:
CAS RN: 7372-92-1
CAS Name: acetic acid [(3S,5R,8R,9S,10R,13R,14S,17R)-4,4,10,13,14-pentamethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,5,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester
OPENEYE Name: [(3S,5R,8R,9S,10R,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-4,4,10,13,14-pentamethyl-2,3,5,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
IUPAC Name: [(3S,5R,8R,9S,10R,13R,14S,17R)-4,4,10,13,14-pentamethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,5,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
SYSTEMATIC NAME: [(3S,5R,8R,9S,10R,13R,14S,17R)-4,4,10,13,14-pentamethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,5,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ethanoate
MOLECULAR FORMULA: C32H56O2
MOLECULAR WEIGHT: 472.78584
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@]2([C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)OC(=O)C)C)C)C
Structure:
CAS RN: 70883-13-5
CAS Name: 1,3-benzodioxol-5-yl-(3,4,5-trimethoxyphenyl)methanone
OPENEYE Name: 1,3-benzodioxol-5-yl-(3,4,5-trimethoxyphenyl)methanone
IUPAC Name: 1,3-benzodioxol-5-yl-(3,4,5-trimethoxyphenyl)methanone
SYSTEMATIC NAME: 1,3-benzodioxol-5-yl-(3,4,5-trimethoxyphenyl)methanone
MOLECULAR FORMULA: C17H16O6
MOLECULAR WEIGHT: 316.30534
SMILES: COC1=CC(=CC(=C1OC)OC)C(=O)C2=CC3=C(C=C2)OCO3
Structure:
CAS RN: 4416-67-5
CAS Name: 4-methylbenzenesulfonic acid (2-methoxyphenyl) ester
OPENEYE Name: (2-methoxyphenyl) 4-methylbenzenesulfonate
IUPAC Name: (2-methoxyphenyl) 4-methylbenzenesulfonate
SYSTEMATIC NAME: (2-methoxyphenyl) 4-methylbenzenesulfonate
MOLECULAR FORMULA: C14H14O4S
MOLECULAR WEIGHT: 278.32356
SMILES: CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2OC
Structure:
CAS RN: 6327-46-4
CAS Name: N-(4-cyclohexyl-3-oxo-5-isoxazolyl)benzenesulfonamide
OPENEYE Name: N-(4-cyclohexyl-3-oxo-isoxazol-5-yl)benzenesulfonamide
IUPAC Name: N-(4-cyclohexyl-3-oxo-1,2-oxazol-5-yl)benzenesulfonamide
SYSTEMATIC NAME: N-(4-cyclohexyl-3-oxidanylidene-1,2-oxazol-5-yl)benzenesulfonamide
MOLECULAR FORMULA: C15H18N2O4S
MOLECULAR WEIGHT: 322.37942
SMILES: C1CCC(CC1)C2=C(ONC2=O)NS(=O)(=O)C3=CC=CC=C3
Structure:
CAS RN: 6327-45-3
CAS Name: 5-amino-4-cyclohexyl-3-isoxazolone
OPENEYE Name: 5-amino-4-cyclohexyl-isoxazol-3-one
IUPAC Name: 5-amino-4-cyclohexyl-1,2-oxazol-3-one
SYSTEMATIC NAME: 5-azanyl-4-cyclohexyl-1,2-oxazol-3-one
MOLECULAR FORMULA: C9H14N2O2
MOLECULAR WEIGHT: 182.21966
SMILES: C1CCC(CC1)C2=C(ONC2=O)N
Structure:
CAS RN: 2439-69-2
CAS Name: acetic acid 1-(1-aziridinyl)but-3-en-2-yl ester
OPENEYE Name: 1-(aziridin-1-ylmethyl)allyl acetate
IUPAC Name: 1-(aziridin-1-yl)but-3-en-2-yl acetate
SYSTEMATIC NAME: 1-(aziridin-1-yl)but-3-en-2-yl ethanoate
MOLECULAR FORMULA: C8H13NO2
MOLECULAR WEIGHT: 155.19432
SMILES: CC(=O)OC(CN1CC1)C=C
Structure:
CAS RN: 21315-95-7
CAS Name: 3-(methylthio)-2H-1,2,4-triazin-5-one
OPENEYE Name: 3-methylsulfanyl-2H-1,2,4-triazin-5-one
IUPAC Name: 3-methylsulfanyl-2H-1,2,4-triazin-5-one
SYSTEMATIC NAME: 3-methylsulfanyl-2H-1,2,4-triazin-5-one
MOLECULAR FORMULA: C4H5N3OS
MOLECULAR WEIGHT: 143.167
SMILES: CSC1=NC(=O)C=NN1
Structure:
CAS RN: 18060-72-5
CAS Name: 3-(methylthio)-2H-1,2,4-triazin-5-one
OPENEYE Name: 3-methylsulfanyl-2H-1,2,4-triazin-5-one
IUPAC Name: 3-methylsulfanyl-2H-1,2,4-triazin-5-one
SYSTEMATIC NAME: 3-methylsulfanyl-2H-1,2,4-triazin-5-one
MOLECULAR FORMULA: C4H5N3OS
MOLECULAR WEIGHT: 143.167
SMILES: CSC1=NC(=O)C=NN1
Structure:
CAS RN: 57772-73-3
CAS Name: 1,3-bis(2,4-dichlorophenoxy)-2-propanol
OPENEYE Name: 1,3-bis(2,4-dichlorophenoxy)propan-2-ol
IUPAC Name: 1,3-bis(2,4-dichlorophenoxy)propan-2-ol
SYSTEMATIC NAME: 1,3-bis[2,4-bis(chloranyl)phenoxy]propan-2-ol
MOLECULAR FORMULA: C15H12Cl4O3
MOLECULAR WEIGHT: 382.06598
SMILES: C1=CC(=C(C=C1Cl)Cl)OCC(COC2=C(C=C(C=C2)Cl)Cl)O
Structure:
CAS RN: 18608-81-6
CAS Name: 1-(diethylamino)-3-phenoxy-2-propanol
OPENEYE Name: 1-(diethylamino)-3-phenoxy-propan-2-ol
IUPAC Name: 1-(diethylamino)-3-phenoxypropan-2-ol
SYSTEMATIC NAME: 1-(diethylamino)-3-phenoxy-propan-2-ol
MOLECULAR FORMULA: C13H21NO2
MOLECULAR WEIGHT: 223.31134
SMILES: CCN(CC)CC(COC1=CC=CC=C1)O
Structure:
CAS RN: 5754-17-6
CAS Name: 4,5-dimethyl-1,2-dihydropyridazine-3,6-dione
OPENEYE Name: 4,5-dimethyl-1,2-dihydropyridazine-3,6-dione
IUPAC Name: 4,5-dimethyl-1,2-dihydropyridazine-3,6-dione
SYSTEMATIC NAME: 4,5-dimethyl-1,2-dihydropyridazine-3,6-dione
MOLECULAR FORMULA: C6H8N2O2
MOLECULAR WEIGHT: 140.13992
SMILES: CC1=C(C(=O)NNC1=O)C
Structure:
CAS RN: 116081-20-0
CAS Name: N,N-dimethyl-2-oxo-1,3,2$l^{5}-oxazaphosphorinan-2-amine
OPENEYE Name: N,N-dimethyl-2-oxo-1,3,2$l^{5}-oxazaphosphinan-2-amine
IUPAC Name: N,N-dimethyl-2-oxo-1,3,2$l^{5}-oxazaphosphinan-2-amine
SYSTEMATIC NAME: N,N-dimethyl-2-oxidanylidene-1,3,2$l^{5}-oxazaphosphinan-2-amine
MOLECULAR FORMULA: C5H13N2O2P
MOLECULAR WEIGHT: 164.142681
SMILES: CN(C)P1(=O)NCCCO1
Structure:
CAS RN: 5434-55-9
CAS Name: 1,2-dicyclohexylbenzene
OPENEYE Name: 1,2-dicyclohexylbenzene
IUPAC Name: 1,2-dicyclohexylbenzene
SYSTEMATIC NAME: 1,2-dicyclohexylbenzene
MOLECULAR FORMULA: C18H26
MOLECULAR WEIGHT: 242.39904
SMILES: C1CCC(CC1)C2=CC=CC=C2C3CCCCC3
Structure:
CAS RN: 30893-65-3
CAS Name: 2-[(4-chlorophenyl)thio]acetamide
OPENEYE Name: 2-(4-chlorophenyl)sulfanylacetamide
IUPAC Name: 2-(4-chlorophenyl)sulfanylacetamide
SYSTEMATIC NAME: 2-(4-chlorophenyl)sulfanylethanamide
MOLECULAR FORMULA: C8H8ClNOS
MOLECULAR WEIGHT: 201.67322
SMILES: C1=CC(=CC=C1SCC(=O)N)Cl
Structure:
CAS RN: 7248-55-7
CAS Name: 1-butylsulfonyl-4-chlorobenzene
OPENEYE Name: 1-butylsulfonyl-4-chloro-benzene
IUPAC Name: 1-butylsulfonyl-4-chlorobenzene
SYSTEMATIC NAME: 1-butylsulfonyl-4-chloranyl-benzene
MOLECULAR FORMULA: C10H13ClO2S
MOLECULAR WEIGHT: 232.72702
SMILES: CCCCS(=O)(=O)C1=CC=C(C=C1)Cl
Structure:
CAS RN: 6084-69-1
CAS Name: N-(2-methoxy-5-methylphenyl)-3-oxobutanamide
OPENEYE Name: N-(2-methoxy-5-methyl-phenyl)-3-oxo-butanamide
IUPAC Name: N-(2-methoxy-5-methylphenyl)-3-oxobutanamide
SYSTEMATIC NAME: N-(2-methoxy-5-methyl-phenyl)-3-oxidanylidene-butanamide
MOLECULAR FORMULA: C12H15NO3
MOLECULAR WEIGHT: 221.2524
SMILES: CC1=CC(=C(C=C1)OC)NC(=O)CC(=O)C
Structure:
CAS RN: 7738-38-7
CAS Name: 2-(2-phenylethylamino)acetic acid
OPENEYE Name: 2-(2-phenylethylamino)acetic acid
IUPAC Name: 2-(2-phenylethylamino)acetic acid
SYSTEMATIC NAME: 2-(2-phenylethylamino)ethanoic acid
MOLECULAR FORMULA: C10H13NO2
MOLECULAR WEIGHT: 179.21572
SMILES: C1=CC=C(C=C1)CCNCC(=O)O
Structure:
CAS RN: 21911-69-3
CAS Name: 2-(4-methylanilino)acetic acid
OPENEYE Name: 2-(4-methylanilino)acetic acid
IUPAC Name: 2-(4-methylanilino)acetic acid
SYSTEMATIC NAME: 2-[(4-methylphenyl)amino]ethanoic acid
MOLECULAR FORMULA: C9H11NO2
MOLECULAR WEIGHT: 165.18914
SMILES: CC1=CC=C(C=C1)NCC(=O)O
Structure:
CAS RN: 90110-48-8
CAS Name: (8-chloro-2-phenyl-4-quinolinyl)-(2-piperidinyl)methanol
OPENEYE Name: (8-chloro-2-phenyl-4-quinolyl)-(2-piperidyl)methanol
IUPAC Name: (8-chloro-2-phenylquinolin-4-yl)-piperidin-2-ylmethanol
SYSTEMATIC NAME: (8-chloranyl-2-phenyl-quinolin-4-yl)-piperidin-2-yl-methanol
MOLECULAR FORMULA: C21H21ClN2O
MOLECULAR WEIGHT: 352.85724
SMILES: C1CCNC(C1)C(C2=CC(=NC3=C2C=CC=C3Cl)C4=CC=CC=C4)O
Structure:
CAS RN: 31185-50-9
CAS Name: (4-aminophenyl)-phenylmethanol
OPENEYE Name: (4-aminophenyl)-phenyl-methanol
IUPAC Name: (4-aminophenyl)-phenylmethanol
SYSTEMATIC NAME: (4-aminophenyl)-phenyl-methanol
MOLECULAR FORMULA: C13H13NO
MOLECULAR WEIGHT: 199.24842
SMILES: C1=CC=C(C=C1)C(C2=CC=C(C=C2)N)O
Structure:
CAS RN: 17601-74-0
CAS Name: 4-chloro-1-methoxy-2-[2,2,2-trichloro-1-(5-chloro-2-methoxyphenyl)ethyl]benzene
OPENEYE Name: 4-chloro-1-methoxy-2-[2,2,2-trichloro-1-(5-chloro-2-methoxy-phenyl)ethyl]benzene
IUPAC Name: 4-chloro-1-methoxy-2-[2,2,2-trichloro-1-(5-chloro-2-methoxyphenyl)ethyl]benzene
SYSTEMATIC NAME: 4-chloranyl-1-methoxy-2-[2,2,2-tris(chloranyl)-1-(5-chloranyl-2-methoxy-phenyl)ethyl]benzene
MOLECULAR FORMULA: C16H13Cl5O2
MOLECULAR WEIGHT: 414.53822
SMILES: COC1=C(C=C(C=C1)Cl)C(C2=C(C=CC(=C2)Cl)OC)C(Cl)(Cl)Cl
Structure:
CAS RN: 7248-00-2
CAS Name: 2-[nitroso-(phenylmethyl)amino]acetic acid
OPENEYE Name: 2-[benzyl(nitroso)amino]acetic acid
IUPAC Name: 2-[benzyl(nitroso)amino]acetic acid
SYSTEMATIC NAME: 2-[nitroso-(phenylmethyl)amino]ethanoic acid
MOLECULAR FORMULA: C9H10N2O3
MOLECULAR WEIGHT: 194.1873
SMILES: C1=CC=C(C=C1)CN(CC(=O)O)N=O
Structure:
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