1-[1-(2,6-dimethylphenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]piperidine-4-carboxylic acid

Systemtic Name: 1-[1-(2,6-dimethylphenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]piperidine-4-carboxylic acid Openeye Name: 1-[1-(2,6-dimethylphenyl)-2,5-dioxo-pyrrolidin-3-yl]piperidine-4-carboxylic acid CAS Name: 1-[1-(2,6-dimethylphenyl)-2,5-dioxo-3-pyrrolidinyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[1-(2,6-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylic acid Traditional Name: 1-[1-(2,6-dimethylphenyl)-2,5-diketo-pyrrolidin-3-yl]isonipecotic acid Formula: C18H22N2O4 MolecularWeight: 330.37828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)N2C(=O)CC(C2=O)N3CCC(CC3)C(=O)O

Isomeric SMILES

CC1=C(C(=CC=C1)C)N2C(=O)CC(C2=O)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C18H22N2O4/c1-11-4-3-5-12(2)16(11)20-15(21)10-14(17(20)22)19-8-6-13(7-9-19)18(23)24/h3-5,13-14H,6-10H2,1-2H3,(H,23,24)