ethyl 1-[2-(3,4-dimethylphenyl)-1-oxidanylidene-isoquinolin-4-yl]carbonylpiperidine-3-carboxylate

Systemtic Name: ethyl 1-[2-(3,4-dimethylphenyl)-1-oxidanylidene-isoquinolin-4-yl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[2-(3,4-dimethylphenyl)-1-oxo-isoquinoline-4-carbonyl]piperidine-3-carboxylate CAS Name: 1-[[2-(3,4-dimethylphenyl)-1-oxo-4-isoquinolinyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(3,4-dimethylphenyl)-1-oxoisoquinoline-4-carbonyl]piperidine-3-carboxylate Traditional Name: 1-[2-(3,4-dimethylphenyl)-1-keto-isoquinoline-4-carbonyl]nipecotic acid ethyl ester Formula: C26H28N2O4 MolecularWeight: 432.51152

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=CN(C(=O)C3=CC=CC=C32)C4=CC(=C(C=C4)C)C

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C2=CN(C(=O)C3=CC=CC=C32)C4=CC(=C(C=C4)C)C

InChI

InChI=1S/C26H28N2O4/c1-4-32-26(31)19-8-7-13-27(15-19)24(29)23-16-28(20-12-11-17(2)18(3)14-20)25(30)22-10-6-5-9-21(22)23/h5-6,9-12,14,16,19H,4,7-8,13,15H2,1-3H3