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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C2=CN(C(=O)C3=CC=CC=C32)C4=CC(=C(C=C4)C)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)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)19-11-13-27(14-12-19)24(29)23-16-28(20-10-9-17(2)18(3)15-20)25(30)22-8-6-5-7-21(22)23/h5-10,15-16,19H,4,11-14H2,1-3H3