(3S)-1-[(2S)-2-[(4-fluorophenyl)carbonylamino]-3-methyl-butanoyl]-N-phenyl-piperidine-3-carboxamide

Systemtic Name: (3S)-1-[(2S)-2-[(4-fluorophenyl)carbonylamino]-3-methyl-butanoyl]-N-phenyl-piperidine-3-carboxamide Openeye Name: (3S)-1-[(2S)-2-[(4-fluorobenzoyl)amino]-3-methyl-butanoyl]-N-phenyl-piperidine-3-carboxamide CAS Name: (3S)-1-[(2S)-2-[[(4-fluorophenyl)-oxomethyl]amino]-3-methyl-1-oxobutyl]-N-phenyl-3-piperidinecarboxamide IUPAC Name: (3S)-1-[(2S)-2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]-N-phenylpiperidine-3-carboxamide Traditional Name: (3S)-1-[(2S)-2-[(4-fluorobenzoyl)amino]-3-methyl-butanoyl]-N-phenyl-nipecotamide Formula: C24H28FN3O3 MolecularWeight: 425.495823

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CCCC(C1)C(=O)NC2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC(C)[C@@H](C(=O)N1CCC[C@@H](C1)C(=O)NC2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C24H28FN3O3/c1-16(2)21(27-22(29)17-10-12-19(25)13-11-17)24(31)28-14-6-7-18(15-28)23(30)26-20-8-4-3-5-9-20/h3-5,8-13,16,18,21H,6-7,14-15H2,1-2H3,(H,26,30)(H,27,29)/t18-,21-/m0/s1