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

Systemtic Name: methyl 4-[5-(azepan-1-ylmethyl)-2,4-dimethyl-phenyl]-2-methyl-5-oxidanylidene-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: methyl 4-[5-(azepan-1-ylmethyl)-2,4-dimethyl-phenyl]-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate CAS Name: 4-[5-(1-azepanylmethyl)-2,4-dimethylphenyl]-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid methyl ester IUPAC Name: methyl 4-[5-(azepan-1-ylmethyl)-2,4-dimethylphenyl]-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Traditional Name: 4-[5-(azepan-1-ylmethyl)-2,4-dimethyl-phenyl]-5-keto-2-methyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid methyl ester Formula: C27H36N2O3 MolecularWeight: 436.58634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C2C3=C(CCCC3=O)NC(=C2C(=O)OC)C)CN4CCCCCC4)C

Isomeric SMILES

CC1=CC(=C(C=C1C2C3=C(CCCC3=O)NC(=C2C(=O)OC)C)CN4CCCCCC4)C

InChI

InChI=1S/C27H36N2O3/c1-17-14-18(2)21(15-20(17)16-29-12-7-5-6-8-13-29)25-24(27(31)32-4)19(3)28-22-10-9-11-23(30)26(22)25/h14-15,25,28H,5-13,16H2,1-4H3