ethyl 4-[3-(azepan-1-ylmethyl)-2,5-dimethyl-phenyl]-2-methyl-5-oxidanylidene-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate

Systemtic Name: ethyl 4-[3-(azepan-1-ylmethyl)-2,5-dimethyl-phenyl]-2-methyl-5-oxidanylidene-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: ethyl 4-[3-(azepan-1-ylmethyl)-2,5-dimethyl-phenyl]-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate CAS Name: 4-[3-(1-azepanylmethyl)-2,5-dimethylphenyl]-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-(azepan-1-ylmethyl)-2,5-dimethylphenyl]-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Traditional Name: 4-[3-(azepan-1-ylmethyl)-2,5-dimethyl-phenyl]-5-keto-2-methyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid ethyl ester Formula: C28H38N2O3 MolecularWeight: 450.61292

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC2=C(C1C3=CC(=CC(=C3C)CN4CCCCCC4)C)C(=O)CCC2)C

Isomeric SMILES

CCOC(=O)C1=C(NC2=C(C1C3=CC(=CC(=C3C)CN4CCCCCC4)C)C(=O)CCC2)C

InChI

InChI=1S/C28H38N2O3/c1-5-33-28(32)25-20(4)29-23-11-10-12-24(31)27(23)26(25)22-16-18(2)15-21(19(22)3)17-30-13-8-6-7-9-14-30/h15-16,26,29H,5-14,17H2,1-4H3