ethyl 4-[5-[(4-ethoxyphenyl)carbonylamino]-1-oxidanylidene-isoquinolin-2-yl]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[5-[(4-ethoxyphenyl)carbonylamino]-1-oxidanylidene-isoquinolin-2-yl]piperidine-1-carboxylate Openeye Name: ethyl 4-[5-[(4-ethoxybenzoyl)amino]-1-oxo-2-isoquinolyl]piperidine-1-carboxylate CAS Name: 4-[5-[[(4-ethoxyphenyl)-oxomethyl]amino]-1-oxo-2-isoquinolinyl]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[5-[(4-ethoxybenzoyl)amino]-1-oxoisoquinolin-2-yl]piperidine-1-carboxylate Traditional Name: 4-[5-[(4-ethoxybenzoyl)amino]-1-keto-2-isoquinolyl]piperidine-1-carboxylic acid ethyl ester Formula: C26H29N3O5 MolecularWeight: 463.52556

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)NC2=CC=CC3=C2C=CN(C3=O)C4CCN(CC4)C(=O)OCC

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)NC2=CC=CC3=C2C=CN(C3=O)C4CCN(CC4)C(=O)OCC

InChI

InChI=1S/C26H29N3O5/c1-3-33-20-10-8-18(9-11-20)24(30)27-23-7-5-6-22-21(23)14-17-29(25(22)31)19-12-15-28(16-13-19)26(32)34-4-2/h5-11,14,17,19H,3-4,12-13,15-16H2,1-2H3,(H,27,30)