(phenylmethyl) 4-(1-oxidanylidene-2H-isoquinolin-3-yl)piperidine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-(1-oxidanylidene-2H-isoquinolin-3-yl)piperidine-1-carboxylate Openeye Name: benzyl 4-(1-oxo-2H-isoquinolin-3-yl)piperidine-1-carboxylate CAS Name: 4-(1-oxo-2H-isoquinolin-3-yl)-1-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-(1-oxo-2H-isoquinolin-3-yl)piperidine-1-carboxylate Traditional Name: 4-(1-keto-2H-isoquinolin-3-yl)piperidine-1-carboxylic acid benzyl ester Formula: C22H22N2O3 MolecularWeight: 362.42168

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=CC3=CC=CC=C3C(=O)N2)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1C2=CC3=CC=CC=C3C(=O)N2)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C22H22N2O3/c25-21-19-9-5-4-8-18(19)14-20(23-21)17-10-12-24(13-11-17)22(26)27-15-16-6-2-1-3-7-16/h1-9,14,17H,10-13,15H2,(H,23,25)