methyl 1-[2-[(4-fluorophenyl)carbonylamino]-3-methyl-butanoyl]-4-phenyl-piperidine-4-carboxylate

Systemtic Name: methyl 1-[2-[(4-fluorophenyl)carbonylamino]-3-methyl-butanoyl]-4-phenyl-piperidine-4-carboxylate Openeye Name: methyl 1-[2-[(4-fluorobenzoyl)amino]-3-methyl-butanoyl]-4-phenyl-piperidine-4-carboxylate CAS Name: 1-[2-[[(4-fluorophenyl)-oxomethyl]amino]-3-methyl-1-oxobutyl]-4-phenyl-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]-4-phenylpiperidine-4-carboxylate Traditional Name: 1-[2-[(4-fluorobenzoyl)amino]-3-methyl-butanoyl]-4-phenyl-isonipecotic acid methyl ester Formula: C25H29FN2O4 MolecularWeight: 440.507163

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CCC(CC1)(C2=CC=CC=C2)C(=O)OC)NC(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC(C)C(C(=O)N1CCC(CC1)(C2=CC=CC=C2)C(=O)OC)NC(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C25H29FN2O4/c1-17(2)21(27-22(29)18-9-11-20(26)12-10-18)23(30)28-15-13-25(14-16-28,24(31)32-3)19-7-5-4-6-8-19/h4-12,17,21H,13-16H2,1-3H3,(H,27,29)