2-[1-(C,N-dimethylcarbonimidoyl)pyrrolidin-3-yl]-2-(6-oxidanylidenecyclohexa-1,3-dien-1-yl)propanoic acid

Systemtic Name: 2-[1-(C,N-dimethylcarbonimidoyl)pyrrolidin-3-yl]-2-(6-oxidanylidenecyclohexa-1,3-dien-1-yl)propanoic acid Openeye Name: 2-[1-(C,N-dimethylcarbonimidoyl)pyrrolidin-3-yl]-2-(6-oxocyclohexa-1,3-dien-1-yl)propanoic acid CAS Name: 2-[1-(1-methyliminoethyl)-3-pyrrolidinyl]-2-(6-oxo-1-cyclohexa-1,3-dienyl)propanoic acid IUPAC Name: 2-[1-(C,N-dimethylcarbonimidoyl)pyrrolidin-3-yl]-2-(6-oxocyclohexa-1,3-dien-1-yl)propanoic acid Traditional Name: 2-[1-(C,N-dimethylcarbonimidoyl)pyrrolidin-3-yl]-2-(6-ketocyclohexa-1,3-dien-1-yl)propionic acid Formula: C16H22N2O3 MolecularWeight: 290.35748

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NC)N1CCC(C1)C(C)(C2=CC=CCC2=O)C(=O)O

Isomeric SMILES

CC(=NC)N1CCC(C1)C(C)(C2=CC=CCC2=O)C(=O)O

InChI

InChI=1S/C16H22N2O3/c1-11(17-3)18-9-8-12(10-18)16(2,15(20)21)13-6-4-5-7-14(13)19/h4-6,12H,7-10H2,1-3H3,(H,20,21)