CAS RN: 6011-26-3
CAS Name: N-(2-acetylphenyl)benzamide
OPENEYE Name: N-(2-acetylphenyl)benzamide
IUPAC Name: N-(2-acetylphenyl)benzamide
SYSTEMATIC NAME: N-(2-ethanoylphenyl)benzamide
MOLECULAR FORMULA: C15H13NO2
MOLECULAR WEIGHT: 239.26922
SMILES: CC(=O)C1=CC=CC=C1NC(=O)C2=CC=CC=C2
Structure:
CAS RN: 6009-97-8
CAS Name: 2-[bis(2-chloroethyl)amino]-4-methylbenzoic acid
OPENEYE Name: 2-[bis(2-chloroethyl)amino]-4-methyl-benzoic acid
IUPAC Name: 2-[bis(2-chloroethyl)amino]-4-methylbenzoic acid
SYSTEMATIC NAME: 2-[bis(2-chloroethyl)amino]-4-methyl-benzoic acid
MOLECULAR FORMULA: C12H15Cl2NO2
MOLECULAR WEIGHT: 276.159
SMILES: CC1=CC(=C(C=C1)C(=O)O)N(CCCl)CCCl
Structure:
CAS RN: 53757-35-0
CAS Name: acetic acid [(3R,6R)-6-(dimethylamino)-4,4-diphenylheptan-3-yl] ester hydrochloride
OPENEYE Name: [(1R,4R)-4-(dimethylamino)-1-ethyl-2,2-diphenyl-pentyl] acetate hydrochloride
IUPAC Name: [(3R,6R)-6-(dimethylamino)-4,4-diphenylheptan-3-yl] acetate hydrochloride
SYSTEMATIC NAME: [(3R,6R)-6-(dimethylamino)-4,4-diphenyl-heptan-3-yl] ethanoate hydrochloride
MOLECULAR FORMULA: C23H32ClNO2
MOLECULAR WEIGHT: 389.95868
SMILES: CC[C@H](C(C[C@@H](C)N(C)C)(C1=CC=CC=C1)C2=CC=CC=C2)OC(=O)C.Cl
Structure:
CAS RN: 5979-93-1
CAS Name: 3-[(2S)-1-prop-2-enyl-2-pyrrolidinyl]pyridine
OPENEYE Name: 3-[(2S)-1-allylpyrrolidin-2-yl]pyridine
IUPAC Name: 3-[(2S)-1-prop-2-enylpyrrolidin-2-yl]pyridine
SYSTEMATIC NAME: 3-[(2S)-1-prop-2-enylpyrrolidin-2-yl]pyridine
MOLECULAR FORMULA: C12H16N2
MOLECULAR WEIGHT: 188.26884
SMILES: C=CCN1CCC[C@H]1C2=CN=CC=C2
Structure:
CAS RN: 5979-92-0
CAS Name: 3-[(2S)-1-ethyl-2-pyrrolidinyl]pyridine
OPENEYE Name: 3-[(2S)-1-ethylpyrrolidin-2-yl]pyridine
IUPAC Name: 3-[(2S)-1-ethylpyrrolidin-2-yl]pyridine
SYSTEMATIC NAME: 3-[(2S)-1-ethylpyrrolidin-2-yl]pyridine
MOLECULAR FORMULA: C11H16N2
MOLECULAR WEIGHT: 176.25814
SMILES: CCN1CCC[C@H]1C2=CN=CC=C2
Structure:
CAS RN: 5978-64-3
CAS Name: 4-[(1-formyl-6,9-dimethyl-2,8-dioxo-4-pyrido[3,2-g]quinolinyl)methoxy]-4-oxobutanoic acid
OPENEYE Name: 4-[(1-formyl-6,9-dimethyl-2,8-dioxo-pyrido[3,2-g]quinolin-4-yl)methoxy]-4-oxo-butanoic acid
IUPAC Name: 4-[(1-formyl-6,9-dimethyl-2,8-dioxopyrido[3,2-g]quinolin-4-yl)methoxy]-4-oxobutanoic acid
SYSTEMATIC NAME: 4-[[1-methanoyl-6,9-dimethyl-2,8-bis(oxidanylidene)pyrido[3,2-g]quinolin-4-yl]methoxy]-4-oxidanylidene-butanoic acid
MOLECULAR FORMULA: C20H18N2O7
MOLECULAR WEIGHT: 398.36612
SMILES: CC1=CC(=O)N(C2=CC3=C(C=C12)C(=CC(=O)N3C=O)COC(=O)CCC(=O)O)C
Structure:
CAS RN: 5978-63-2
CAS Name: acetic acid (1-formyl-6,9-dimethyl-2,8-dioxo-4-pyrido[3,2-g]quinolinyl)methyl ester
OPENEYE Name: (1-formyl-6,9-dimethyl-2,8-dioxo-pyrido[3,2-g]quinolin-4-yl)methyl acetate
IUPAC Name: (1-formyl-6,9-dimethyl-2,8-dioxopyrido[3,2-g]quinolin-4-yl)methyl acetate
SYSTEMATIC NAME: [1-methanoyl-6,9-dimethyl-2,8-bis(oxidanylidene)pyrido[3,2-g]quinolin-4-yl]methyl ethanoate
MOLECULAR FORMULA: C18H16N2O5
MOLECULAR WEIGHT: 340.33004
SMILES: CC1=CC(=O)N(C2=CC3=C(C=C12)C(=CC(=O)N3C=O)COC(=O)C)C
Structure:
CAS RN: 5977-34-4
CAS Name: 2-[bis(2-chloroethyl)amino]-5-methylbenzoic acid
OPENEYE Name: 2-[bis(2-chloroethyl)amino]-5-methyl-benzoic acid
IUPAC Name: 2-[bis(2-chloroethyl)amino]-5-methylbenzoic acid
SYSTEMATIC NAME: 2-[bis(2-chloroethyl)amino]-5-methyl-benzoic acid
MOLECULAR FORMULA: C12H15Cl2NO2
MOLECULAR WEIGHT: 276.159
SMILES: CC1=CC(=C(C=C1)N(CCCl)CCCl)C(=O)O
Structure:
CAS RN: 5977-01-5
CAS Name: 2-[bis(2-chloroethyl)amino]-3-methylbenzoic acid
OPENEYE Name: 2-[bis(2-chloroethyl)amino]-3-methyl-benzoic acid
IUPAC Name: 2-[bis(2-chloroethyl)amino]-3-methylbenzoic acid
SYSTEMATIC NAME: 2-[bis(2-chloroethyl)amino]-3-methyl-benzoic acid
MOLECULAR FORMULA: C12H15Cl2NO2
MOLECULAR WEIGHT: 276.159
SMILES: CC1=CC=CC(=C1N(CCCl)CCCl)C(=O)O
Structure:
CAS RN: 147-73-9
CAS Name: (2R,3S)-2,3-dihydroxybutanedioate
OPENEYE Name: (2R,3S)-2,3-dihydroxybutanedioate
IUPAC Name: (2R,3S)-2,3-dihydroxybutanedioate
SYSTEMATIC NAME: (2R,3S)-2,3-bis(oxidanyl)butanedioate
MOLECULAR FORMULA: C4H4O6-2
MOLECULAR WEIGHT: 148.07096
SMILES: [C@@H]([C@@H](C(=O)[O-])O)(C(=O)[O-])O
Structure:
CAS RN: 5976-95-4
CAS Name: (2R,3S)-2,3-dihydroxybutanedioate
OPENEYE Name: (2R,3S)-2,3-dihydroxybutanedioate
IUPAC Name: (2R,3S)-2,3-dihydroxybutanedioate
SYSTEMATIC NAME: (2R,3S)-2,3-bis(oxidanyl)butanedioate
MOLECULAR FORMULA: C4H4O6-2
MOLECULAR WEIGHT: 148.07096
SMILES: [C@@H]([C@@H](C(=O)[O-])O)(C(=O)[O-])O
Structure:
CAS RN: 5969-94-8
CAS Name: 3-(diethoxyphosphinothioylthio)propanoic acid ethyl ester
OPENEYE Name: ethyl 3-diethoxyphosphinothioylsulfanylpropanoate
IUPAC Name: ethyl 3-diethoxyphosphinothioylsulfanylpropanoate
SYSTEMATIC NAME: ethyl 3-diethoxyphosphinothioylsulfanylpropanoate
MOLECULAR FORMULA: C9H19O4PS2
MOLECULAR WEIGHT: 286.348521
SMILES: CCOC(=O)CCSP(=S)(OCC)OCC
Structure:
CAS RN: 5966-03-0
CAS Name: N-(ethylcarbamoyl)-3,4,5-trimethoxybenzamide
OPENEYE Name: N-(ethylcarbamoyl)-3,4,5-trimethoxy-benzamide
IUPAC Name: N-(ethylcarbamoyl)-3,4,5-trimethoxybenzamide
SYSTEMATIC NAME: N-(ethylcarbamoyl)-3,4,5-trimethoxy-benzamide
MOLECULAR FORMULA: C13H18N2O5
MOLECULAR WEIGHT: 282.29242
SMILES: CCNC(=O)NC(=O)C1=CC(=C(C(=C1)OC)OC)OC
Structure:
CAS RN: 5959-98-8
CAS Name: 3-(2-chloroethyl)-2-methylpyridine hydrochloride
OPENEYE Name: 3-(2-chloroethyl)-2-methyl-pyridine hydrochloride
IUPAC Name: 3-(2-chloroethyl)-2-methylpyridine hydrochloride
SYSTEMATIC NAME: 3-(2-chloroethyl)-2-methyl-pyridine hydrochloride
MOLECULAR FORMULA: C8H11Cl2N
MOLECULAR WEIGHT: 192.08564
SMILES: CC1=C(C=CC=N1)CCCl.Cl
Structure:
CAS RN: 5959-44-4
CAS Name: benzoic acid [2-[(dimethylamino)methyl]-1-ethylcyclohexyl] ester
OPENEYE Name: [2-[(dimethylamino)methyl]-1-ethyl-cyclohexyl] benzoate
IUPAC Name: [2-[(dimethylamino)methyl]-1-ethylcyclohexyl] benzoate
SYSTEMATIC NAME: [2-[(dimethylamino)methyl]-1-ethyl-cyclohexyl] benzoate
MOLECULAR FORMULA: C18H27NO2
MOLECULAR WEIGHT: 289.41248
SMILES: CCC1(CCCCC1CN(C)C)OC(=O)C2=CC=CC=C2
Structure:
CAS RN: 5956-63-8
CAS Name: (2R,3S,4S,4aR,10bS)-3,4,8,10-tetrahydroxy-2-(hydroxymethyl)-9-methoxy-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c][2]benzopyran-6-one hydrate
OPENEYE Name: (2R,3S,4S,4aR,10bS)-3,4,8,10-tetrahydroxy-2-(hydroxymethyl)-9-methoxy-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]isochromen-6-one hydrate
IUPAC Name: (2R,3S,4S,4aR,10bS)-3,4,8,10-tetrahydroxy-2-(hydroxymethyl)-9-methoxy-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]isochromen-6-one hydrate
SYSTEMATIC NAME: (2R,3S,4S,4aR,10bS)-2-(hydroxymethyl)-9-methoxy-3,4,8,10-tetrakis(oxidanyl)-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]isochromen-6-one hydrate
MOLECULAR FORMULA: C14H18O10
MOLECULAR WEIGHT: 346.28672
SMILES: COC1=C(C=C2C(=C1O)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)OC2=O)O.O
Structure:
CAS RN: 5949-11-1
CAS Name: (S)-(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(4-quinolinyl)methanol hydrochloride
OPENEYE Name: (S)-4-quinolyl-(5-vinylquinuclidin-2-yl)methanol hydrochloride
IUPAC Name: (S)-(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-quinolin-4-ylmethanol hydrochloride
SYSTEMATIC NAME: (S)-(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-quinolin-4-yl-methanol hydrochloride
MOLECULAR FORMULA: C19H23ClN2O
MOLECULAR WEIGHT: 330.85172
SMILES: C=CC1CN2CCC1CC2[C@H](C3=CC=NC4=CC=CC=C34)O.Cl
Structure:
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