1-[[2-oxidanylidene-1-(phenylmethyl)-1,8-naphthyridin-3-yl]carbonyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[[2-oxidanylidene-1-(phenylmethyl)-1,8-naphthyridin-3-yl]carbonyl]piperidine-4-carboxylic acid Openeye Name: 1-(1-benzyl-2-oxo-1,8-naphthyridine-3-carbonyl)piperidine-4-carboxylic acid CAS Name: 1-[oxo-[2-oxo-1-(phenylmethyl)-1,8-naphthyridin-3-yl]methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-(1-benzyl-2-oxo-1,8-naphthyridine-3-carbonyl)piperidine-4-carboxylic acid Traditional Name: 1-(1-benzyl-2-keto-1,8-naphthyridine-3-carbonyl)isonipecotic acid Formula: C22H21N3O4 MolecularWeight: 391.41984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(=O)C2=CC3=C(N=CC=C3)N(C2=O)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1C(=O)O)C(=O)C2=CC3=C(N=CC=C3)N(C2=O)CC4=CC=CC=C4

InChI

InChI=1S/C22H21N3O4/c26-20(24-11-8-16(9-12-24)22(28)29)18-13-17-7-4-10-23-19(17)25(21(18)27)14-15-5-2-1-3-6-15/h1-7,10,13,16H,8-9,11-12,14H2,(H,28,29)