(phenylmethyl) 4-[[5-fluoranyl-2-(methylamino)phenyl]carbamoyl]-4-phenyl-piperidine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-[[5-fluoranyl-2-(methylamino)phenyl]carbamoyl]-4-phenyl-piperidine-1-carboxylate Openeye Name: benzyl 4-[[5-fluoro-2-(methylamino)phenyl]carbamoyl]-4-phenyl-piperidine-1-carboxylate CAS Name: 4-[[5-fluoro-2-(methylamino)anilino]-oxomethyl]-4-phenyl-1-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[[5-fluoro-2-(methylamino)phenyl]carbamoyl]-4-phenylpiperidine-1-carboxylate Traditional Name: 4-[[5-fluoro-2-(methylamino)phenyl]carbamoyl]-4-phenyl-piperidine-1-carboxylic acid benzyl ester Formula: C27H28FN3O3 MolecularWeight: 461.527923

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)F)NC(=O)C2(CCN(CC2)C(=O)OCC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CNC1=C(C=C(C=C1)F)NC(=O)C2(CCN(CC2)C(=O)OCC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H28FN3O3/c1-29-23-13-12-22(28)18-24(23)30-25(32)27(21-10-6-3-7-11-21)14-16-31(17-15-27)26(33)34-19-20-8-4-2-5-9-20/h2-13,18,29H,14-17,19H2,1H3,(H,30,32)