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

Systemtic Name: (3S)-1-[4-[(3-fluorophenyl)amino]-4-oxidanylidene-butanoyl]piperidine-3-carboxylic acid Openeye Name: (3S)-1-[4-(3-fluoroanilino)-4-oxo-butanoyl]piperidine-3-carboxylic acid CAS Name: (3S)-1-[4-(3-fluoroanilino)-1,4-dioxobutyl]-3-piperidinecarboxylic acid IUPAC Name: (3S)-1-[4-(3-fluoroanilino)-4-oxobutanoyl]piperidine-3-carboxylic acid Traditional Name: (3S)-1-[4-(3-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(=CC=C2)F)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C16H19FN2O4/c17-12-4-1-5-13(9-12)18-14(20)6-7-15(21)19-8-2-3-11(10-19)16(22)23/h1,4-5,9,11H,2-3,6-8,10H2,(H,18,20)(H,22,23)/t11-/m0/s1