3-[3-[(4-butoxycarbonylphenyl)amino]-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoic acid

Systemtic Name: 3-[3-[(4-butoxycarbonylphenyl)amino]-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoic acid Openeye Name: 3-[3-(4-butoxycarbonylanilino)-2,5-dioxo-pyrrolidin-1-yl]benzoic acid CAS Name: 3-[3-[4-[butoxy(oxo)methyl]anilino]-2,5-dioxo-1-pyrrolidinyl]benzoic acid IUPAC Name: 3-[3-(4-butoxycarbonylanilino)-2,5-dioxopyrrolidin-1-yl]benzoic acid Traditional Name: 3-[3-(4-butoxycarbonylanilino)-2,5-diketo-pyrrolidino]benzoic acid Formula: C22H22N2O6 MolecularWeight: 410.41988

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC2CC(=O)N(C2=O)C3=CC=CC(=C3)C(=O)O

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC2CC(=O)N(C2=O)C3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C22H22N2O6/c1-2-3-11-30-22(29)14-7-9-16(10-8-14)23-18-13-19(25)24(20(18)26)17-6-4-5-15(12-17)21(27)28/h4-10,12,18,23H,2-3,11,13H2,1H3,(H,27,28)