(3S)-1-(4-oxidanylidene-4-phenylazanyl-butanoyl)piperidine-3-carboxylic acid

Systemtic Name: (3S)-1-(4-oxidanylidene-4-phenylazanyl-butanoyl)piperidine-3-carboxylic acid Openeye Name: (3S)-1-(4-anilino-4-oxo-butanoyl)piperidine-3-carboxylic acid CAS Name: (3S)-1-(4-anilino-1,4-dioxobutyl)-3-piperidinecarboxylic acid IUPAC Name: (3S)-1-(4-anilino-4-oxobutanoyl)piperidine-3-carboxylic acid Traditional Name: (3S)-1-(4-anilino-4-keto-butanoyl)nipecotic acid Formula: C16H20N2O4 MolecularWeight: 304.341

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N2O4/c19-14(17-13-6-2-1-3-7-13)8-9-15(20)18-10-4-5-12(11-18)16(21)22/h1-3,6-7,12H,4-5,8-11H2,(H,17,19)(H,21,22)/t12-/m0/s1