1-[1-(2-methylphenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]piperidine-4-carboxylic acid

Systemtic Name: 1-[1-(2-methylphenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]piperidine-4-carboxylic acid Openeye Name: 1-[1-(o-tolyl)-2,5-dioxo-pyrrolidin-3-yl]piperidine-4-carboxylic acid CAS Name: 1-[1-(2-methylphenyl)-2,5-dioxo-3-pyrrolidinyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[1-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylic acid Traditional Name: 1-[2,5-diketo-1-(o-tolyl)pyrrolidin-3-yl]isonipecotic acid Formula: C17H20N2O4 MolecularWeight: 316.3517

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)CC(C2=O)N3CCC(CC3)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)CC(C2=O)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C17H20N2O4/c1-11-4-2-3-5-13(11)19-15(20)10-14(16(19)21)18-8-6-12(7-9-18)17(22)23/h2-5,12,14H,6-10H2,1H3,(H,22,23)