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

Systemtic Name: (phenylmethyl) 4-[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl]-4-phenyl-piperidine-1-carboxylate Openeye Name: benzyl 4-[2-oxo-2-(2-thienylmethylamino)ethyl]-4-phenyl-piperidine-1-carboxylate CAS Name: 4-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-4-phenyl-1-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-4-phenylpiperidine-1-carboxylate Traditional Name: 4-[2-keto-2-(2-thenylamino)ethyl]-4-phenyl-piperidine-1-carboxylic acid benzyl ester Formula: C26H28N2O3S MolecularWeight: 448.57712

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(CC(=O)NCC2=CC=CS2)C3=CC=CC=C3)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1(CC(=O)NCC2=CC=CS2)C3=CC=CC=C3)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C26H28N2O3S/c29-24(27-19-23-12-7-17-32-23)18-26(22-10-5-2-6-11-22)13-15-28(16-14-26)25(30)31-20-21-8-3-1-4-9-21/h1-12,17H,13-16,18-20H2,(H,27,29)