ethyl 1-[[4-(6-azanylhexylcarbamoyl)phenyl]methyl]-6-methyl-4-(3-methylphenyl)-2-oxidanylidene-3,4-dihydropyridine-5-carboxylate

Systemtic Name: ethyl 1-[[4-(6-azanylhexylcarbamoyl)phenyl]methyl]-6-methyl-4-(3-methylphenyl)-2-oxidanylidene-3,4-dihydropyridine-5-carboxylate Openeye Name: ethyl 1-[[4-(6-aminohexylcarbamoyl)phenyl]methyl]-6-methyl-4-(m-tolyl)-2-oxo-3,4-dihydropyridine-5-carboxylate CAS Name: 1-[[4-[(6-aminohexylamino)-oxomethyl]phenyl]methyl]-6-methyl-4-(3-methylphenyl)-2-oxo-3,4-dihydropyridine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 1-[[4-(6-aminohexylcarbamoyl)phenyl]methyl]-6-methyl-4-(3-methylphenyl)-2-oxo-3,4-dihydropyridine-5-carboxylate Traditional Name: 1-[4-(6-aminohexylcarbamoyl)benzyl]-2-keto-6-methyl-4-(m-tolyl)-3,4-dihydropyridine-5-carboxylic acid ethyl ester Formula: C30H39N3O4 MolecularWeight: 505.64836

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=O)CC1C2=CC(=CC=C2)C)CC3=CC=C(C=C3)C(=O)NCCCCCCN)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=O)CC1C2=CC(=CC=C2)C)CC3=CC=C(C=C3)C(=O)NCCCCCCN)C

InChI

InChI=1S/C30H39N3O4/c1-4-37-30(36)28-22(3)33(27(34)19-26(28)25-11-9-10-21(2)18-25)20-23-12-14-24(15-13-23)29(35)32-17-8-6-5-7-16-31/h9-15,18,26H,4-8,16-17,19-20,31H2,1-3H3,(H,32,35)