1-[1-(4-methylphenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylpiperidine-4-carboxylic acid

Systemtic Name: 1-[1-(4-methylphenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylpiperidine-4-carboxylic acid Openeye Name: 1-[5-oxo-1-(p-tolyl)pyrrolidine-3-carbonyl]piperidine-4-carboxylic acid CAS Name: 1-[[1-(4-methylphenyl)-5-oxo-3-pyrrolidinyl]-oxomethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxylic acid Traditional Name: 1-[5-keto-1-(p-tolyl)pyrrolidine-3-carbonyl]isonipecotic acid Formula: C18H22N2O4 MolecularWeight: 330.37828

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2CC(CC2=O)C(=O)N3CCC(CC3)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)N2CC(CC2=O)C(=O)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C18H22N2O4/c1-12-2-4-15(5-3-12)20-11-14(10-16(20)21)17(22)19-8-6-13(7-9-19)18(23)24/h2-5,13-14H,6-11H2,1H3,(H,23,24)