butyl 2-(4-ethoxyphenyl)-1-oxidanylidene-isoquinoline-4-carboxylate

Systemtic Name: butyl 2-(4-ethoxyphenyl)-1-oxidanylidene-isoquinoline-4-carboxylate Openeye Name: butyl 2-(4-ethoxyphenyl)-1-oxo-isoquinoline-4-carboxylate CAS Name: 2-(4-ethoxyphenyl)-1-oxo-4-isoquinolinecarboxylic acid butyl ester IUPAC Name: butyl 2-(4-ethoxyphenyl)-1-oxoisoquinoline-4-carboxylate Traditional Name: 1-keto-2-p-phenetyl-isoquinoline-4-carboxylic acid butyl ester Formula: C22H23NO4 MolecularWeight: 365.42232

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CN(C(=O)C2=CC=CC=C21)C3=CC=C(C=C3)OCC

Isomeric SMILES

CCCCOC(=O)C1=CN(C(=O)C2=CC=CC=C21)C3=CC=C(C=C3)OCC

InChI

InChI=1S/C22H23NO4/c1-3-5-14-27-22(25)20-15-23(16-10-12-17(13-11-16)26-4-2)21(24)19-9-7-6-8-18(19)20/h6-13,15H,3-5,14H2,1-2H3