(4-cyanophenyl)methyl 1-butyl-2-(2-methoxyphenyl)-6-oxidanylidene-piperidine-3-carboxylate

Systemtic Name: (4-cyanophenyl)methyl 1-butyl-2-(2-methoxyphenyl)-6-oxidanylidene-piperidine-3-carboxylate Openeye Name: (4-cyanophenyl)methyl 1-butyl-2-(2-methoxyphenyl)-6-oxo-piperidine-3-carboxylate CAS Name: 1-butyl-2-(2-methoxyphenyl)-6-oxo-3-piperidinecarboxylic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl 1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxylate Traditional Name: 1-butyl-6-keto-2-(2-methoxyphenyl)nipecotic acid (4-cyanobenzyl) ester Formula: C25H28N2O4 MolecularWeight: 420.50082

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(C(CCC1=O)C(=O)OCC2=CC=C(C=C2)C#N)C3=CC=CC=C3OC

Isomeric SMILES

CCCCN1C(C(CCC1=O)C(=O)OCC2=CC=C(C=C2)C#N)C3=CC=CC=C3OC

InChI

InChI=1S/C25H28N2O4/c1-3-4-15-27-23(28)14-13-21(24(27)20-7-5-6-8-22(20)30-2)25(29)31-17-19-11-9-18(16-26)10-12-19/h5-12,21,24H,3-4,13-15,17H2,1-2H3