(3S)-1-[4-[(4-fluorophenyl)amino]-4-oxidanylidene-butanoyl]piperidine-3-carboxylic acid

Systemtic Name: (3S)-1-[4-[(4-fluorophenyl)amino]-4-oxidanylidene-butanoyl]piperidine-3-carboxylic acid Openeye Name: (3S)-1-[4-(4-fluoroanilino)-4-oxo-butanoyl]piperidine-3-carboxylic acid CAS Name: (3S)-1-[4-(4-fluoroanilino)-1,4-dioxobutyl]-3-piperidinecarboxylic acid IUPAC Name: (3S)-1-[4-(4-fluoroanilino)-4-oxobutanoyl]piperidine-3-carboxylic acid Traditional Name: (3S)-1-[4-(4-fluoroanilino)-4-keto-butanoyl]nipecotic acid Formula: C16H19FN2O4 MolecularWeight: 322.331463

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)CCC(=O)NC2=CC=C(C=C2)F)C(=O)O

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)CCC(=O)NC2=CC=C(C=C2)F)C(=O)O

InChI

InChI=1S/C16H19FN2O4/c17-12-3-5-13(6-4-12)18-14(20)7-8-15(21)19-9-1-2-11(10-19)16(22)23/h3-6,11H,1-2,7-10H2,(H,18,20)(H,22,23)/t11-/m0/s1