(phenylmethyl) 4-[2-oxidanylidene-2-(pyridin-4-ylmethylamino)ethyl]-4-phenyl-piperidine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-[2-oxidanylidene-2-(pyridin-4-ylmethylamino)ethyl]-4-phenyl-piperidine-1-carboxylate Openeye Name: benzyl 4-[2-oxo-2-(4-pyridylmethylamino)ethyl]-4-phenyl-piperidine-1-carboxylate CAS Name: 4-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]-4-phenyl-1-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]-4-phenylpiperidine-1-carboxylate Traditional Name: 4-[2-keto-2-(4-pyridylmethylamino)ethyl]-4-phenyl-piperidine-1-carboxylic acid benzyl ester Formula: C27H29N3O3 MolecularWeight: 443.53746

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(CC(=O)NCC2=CC=NC=C2)C3=CC=CC=C3)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1(CC(=O)NCC2=CC=NC=C2)C3=CC=CC=C3)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C27H29N3O3/c31-25(29-20-22-11-15-28-16-12-22)19-27(24-9-5-2-6-10-24)13-17-30(18-14-27)26(32)33-21-23-7-3-1-4-8-23/h1-12,15-16H,13-14,17-21H2,(H,29,31)