ethyl 4-[5-[3-(4-methoxyphenyl)propanoylamino]-1-oxidanylidene-isoquinolin-2-yl]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[5-[3-(4-methoxyphenyl)propanoylamino]-1-oxidanylidene-isoquinolin-2-yl]piperidine-1-carboxylate Openeye Name: ethyl 4-[5-[3-(4-methoxyphenyl)propanoylamino]-1-oxo-2-isoquinolyl]piperidine-1-carboxylate CAS Name: 4-[5-[[3-(4-methoxyphenyl)-1-oxopropyl]amino]-1-oxo-2-isoquinolinyl]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[5-[3-(4-methoxyphenyl)propanoylamino]-1-oxoisoquinolin-2-yl]piperidine-1-carboxylate Traditional Name: 4-[1-keto-5-[3-(4-methoxyphenyl)propanoylamino]-2-isoquinolyl]piperidine-1-carboxylic acid ethyl ester Formula: C27H31N3O5 MolecularWeight: 477.55214

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)N2C=CC3=C(C2=O)C=CC=C3NC(=O)CCC4=CC=C(C=C4)OC

Isomeric SMILES

CCOC(=O)N1CCC(CC1)N2C=CC3=C(C2=O)C=CC=C3NC(=O)CCC4=CC=C(C=C4)OC

InChI

InChI=1S/C27H31N3O5/c1-3-35-27(33)29-16-13-20(14-17-29)30-18-15-22-23(26(30)32)5-4-6-24(22)28-25(31)12-9-19-7-10-21(34-2)11-8-19/h4-8,10-11,15,18,20H,3,9,12-14,16-17H2,1-2H3,(H,28,31)