CAS RN: 71172-40-2
CAS Name: 2-[cyano(methyl)amino]acetic acid ethyl ester
OPENEYE Name: ethyl 2-[cyano(methyl)amino]acetate
IUPAC Name: ethyl 2-[cyano(methyl)amino]acetate
SYSTEMATIC NAME: ethyl 2-[cyano(methyl)amino]ethanoate
MOLECULAR FORMULA: C6H10N2O2
MOLECULAR WEIGHT: 142.1558
SMILES: CCOC(=O)CN(C)C#N
Structure:
CAS RN: 79-63-0
CAS Name: (3S,5R,10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-17-[(2R)-6-methylhept-5-en-2-yl]-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
OPENEYE Name: (3S,5R,10S,13R,14R,17R)-17-[(1R)-1,5-dimethylhex-4-enyl]-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
IUPAC Name: (3S,5R,10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-17-[(2R)-6-methylhept-5-en-2-yl]-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
SYSTEMATIC NAME: (3S,5R,10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-17-[(2R)-6-methylhept-5-en-2-yl]-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
MOLECULAR FORMULA: C30H50O
MOLECULAR WEIGHT: 426.7174
SMILES: C[C@H](CCC=C(C)C)[C@H]1CC[C@@]2([C@@]1(CCC3=C2CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)C)C
Structure:
CAS RN: 6627-43-6
CAS Name: 2-[[4-(3-ethoxy-2-ethoxycarbonyl-2-formamido-3-oxopropyl)-1-piperazinyl]methyl]-2-formamidopropanedioic acid diethyl ester
OPENEYE Name: diethyl 2-[[4-(3-ethoxy-2-ethoxycarbonyl-2-formamido-3-oxo-propyl)piperazin-1-yl]methyl]-2-formamido-propanedioate
IUPAC Name: diethyl 2-[[4-(3-ethoxy-2-ethoxycarbonyl-2-formamido-3-oxopropyl)piperazin-1-yl]methyl]-2-formamidopropanedioate
SYSTEMATIC NAME: diethyl 2-[[4-(3-ethoxy-2-ethoxycarbonyl-2-formamido-3-oxidanylidene-propyl)piperazin-1-yl]methyl]-2-formamido-propanedioate
MOLECULAR FORMULA: C22H36N4O10
MOLECULAR WEIGHT: 516.54204
SMILES: CCOC(=O)C(CN1CCN(CC1)CC(C(=O)OCC)(C(=O)OCC)NC=O)(C(=O)OCC)NC=O
Structure:
CAS RN: 3432-00-6
CAS Name: 2-tert-butyl-4-(3-tert-butyl-4-hydroxy-5-methylphenyl)-6-methylphenol
OPENEYE Name: 2-tert-butyl-4-(3-tert-butyl-4-hydroxy-5-methyl-phenyl)-6-methyl-phenol
IUPAC Name: 2-tert-butyl-4-(3-tert-butyl-4-hydroxy-5-methylphenyl)-6-methylphenol
SYSTEMATIC NAME: 2-tert-butyl-4-(3-tert-butyl-5-methyl-4-oxidanyl-phenyl)-6-methyl-phenol
MOLECULAR FORMULA: C22H30O2
MOLECULAR WEIGHT: 326.4724
SMILES: CC1=C(C(=CC(=C1)C2=CC(=C(C(=C2)C(C)(C)C)O)C)C(C)(C)C)O
Structure:
CAS RN: 6628-56-4
CAS Name: 2,3,5-triphenyl-N-(phenylmethyl)-3,4-dihydropyrazol-4-amine
OPENEYE Name: N-benzyl-2,3,5-triphenyl-3,4-dihydropyrazol-4-amine
IUPAC Name: N-benzyl-2,3,5-triphenyl-3,4-dihydropyrazol-4-amine
SYSTEMATIC NAME: 2,3,5-triphenyl-N-(phenylmethyl)-3,4-dihydropyrazol-4-amine
MOLECULAR FORMULA: C28H25N3
MOLECULAR WEIGHT: 403.5182
SMILES: C1=CC=C(C=C1)CNC2C(N(N=C2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5
Structure:
CAS RN: 6628-50-8
CAS Name: 4-(3,4-dihydro-2H-quinolin-1-yl)-3-(4-morpholinyl)-4-phenyl-2-butanone
OPENEYE Name: 4-(3,4-dihydro-2H-quinolin-1-yl)-3-morpholino-4-phenyl-butan-2-one
IUPAC Name: 4-(3,4-dihydro-2H-quinolin-1-yl)-3-morpholin-4-yl-4-phenylbutan-2-one
SYSTEMATIC NAME: 4-(3,4-dihydro-2H-quinolin-1-yl)-3-morpholin-4-yl-4-phenyl-butan-2-one
MOLECULAR FORMULA: C23H28N2O2
MOLECULAR WEIGHT: 364.48062
SMILES: CC(=O)C(C(C1=CC=CC=C1)N2CCCC3=CC=CC=C32)N4CCOCC4
Structure:
CAS RN: 5581-42-0
CAS Name: 1-(4-chlorophenyl)sulfonyl-3-[4-(dimethylamino)phenyl]urea
OPENEYE Name: 1-(4-chlorophenyl)sulfonyl-3-[4-(dimethylamino)phenyl]urea
IUPAC Name: 1-(4-chlorophenyl)sulfonyl-3-[4-(dimethylamino)phenyl]urea
SYSTEMATIC NAME: 1-(4-chlorophenyl)sulfonyl-3-[4-(dimethylamino)phenyl]urea
MOLECULAR FORMULA: C15H16ClN3O3S
MOLECULAR WEIGHT: 353.82384
SMILES: CN(C)C1=CC=C(C=C1)NC(=O)NS(=O)(=O)C2=CC=C(C=C2)Cl
Structure:
CAS RN: 6341-74-8
CAS Name: 1-(4-chlorophenyl)sulfonyl-3-[4-(dimethylamino)phenyl]urea
OPENEYE Name: 1-(4-chlorophenyl)sulfonyl-3-[4-(dimethylamino)phenyl]urea
IUPAC Name: 1-(4-chlorophenyl)sulfonyl-3-[4-(dimethylamino)phenyl]urea
SYSTEMATIC NAME: 1-(4-chlorophenyl)sulfonyl-3-[4-(dimethylamino)phenyl]urea
MOLECULAR FORMULA: C15H16ClN3O3S
MOLECULAR WEIGHT: 353.82384
SMILES: CN(C)C1=CC=C(C=C1)NC(=O)NS(=O)(=O)C2=CC=C(C=C2)Cl
Structure:
CAS RN: 5449-40-1
CAS Name: (2-hydroxy-5-methoxyphenyl)-(4-methylphenyl)methanone
OPENEYE Name: (2-hydroxy-5-methoxy-phenyl)-(p-tolyl)methanone
IUPAC Name: (2-hydroxy-5-methoxyphenyl)-(4-methylphenyl)methanone
SYSTEMATIC NAME: (5-methoxy-2-oxidanyl-phenyl)-(4-methylphenyl)methanone
MOLECULAR FORMULA: C15H14O3
MOLECULAR WEIGHT: 242.26986
SMILES: CC1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)OC)O
Structure:
CAS RN: 77189-05-0
CAS Name: 2-(2-ethylhexyl)-1-cyclohexanol
OPENEYE Name: 2-(2-ethylhexyl)cyclohexanol
IUPAC Name: 2-(2-ethylhexyl)cyclohexan-1-ol
SYSTEMATIC NAME: 2-(2-ethylhexyl)cyclohexan-1-ol
MOLECULAR FORMULA: C14H28O
MOLECULAR WEIGHT: 212.37152
SMILES: CCCCC(CC)CC1CCCCC1O
Structure:
CAS RN: 6628-30-4
CAS Name: 2-(2-ethyl-1-hydroxybutyl)-1-cyclohexanol
OPENEYE Name: 2-(2-ethyl-1-hydroxy-butyl)cyclohexanol
IUPAC Name: 2-(2-ethyl-1-hydroxybutyl)cyclohexan-1-ol
SYSTEMATIC NAME: 2-(2-ethyl-1-oxidanyl-butyl)cyclohexan-1-ol
MOLECULAR FORMULA: C12H24O2
MOLECULAR WEIGHT: 200.31776
SMILES: CCC(CC)C(C1CCCCC1O)O
Structure:
CAS RN: 19594-40-2
CAS Name: 2-methyl-4-undecanone
OPENEYE Name: 2-methylundecan-4-one
IUPAC Name: 2-methylundecan-4-one
SYSTEMATIC NAME: 2-methylundecan-4-one
MOLECULAR FORMULA: C12H24O
MOLECULAR WEIGHT: 184.31836
SMILES: CCCCCCCC(=O)CC(C)C
Structure:
CAS RN: 5541-89-9
CAS Name: 4-(1H-indol-3-yl)-2-butanone
OPENEYE Name: 4-(1H-indol-3-yl)butan-2-one
IUPAC Name: 4-(1H-indol-3-yl)butan-2-one
SYSTEMATIC NAME: 4-(1H-indol-3-yl)butan-2-one
MOLECULAR FORMULA: C12H13NO
MOLECULAR WEIGHT: 187.23772
SMILES: CC(=O)CCC1=CNC2=CC=CC=C21
Structure:
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