4-[4-[1,3-bis(oxidanylidene)isoindol-2-yl]butanoylamino]-3-methyl-benzoic acid

Systemtic Name: 4-[4-[1,3-bis(oxidanylidene)isoindol-2-yl]butanoylamino]-3-methyl-benzoic acid Openeye Name: 4-[4-(1,3-dioxoisoindolin-2-yl)butanoylamino]-3-methyl-benzoic acid CAS Name: 4-[[4-(1,3-dioxo-2-isoindolyl)-1-oxobutyl]amino]-3-methylbenzoic acid IUPAC Name: 4-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]-3-methylbenzoic acid Traditional Name: 3-methyl-4-(4-phthalimidobutanoylamino)benzoic acid Formula: C20H18N2O5 MolecularWeight: 366.36732

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)O)NC(=O)CCCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)O)NC(=O)CCCN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C20H18N2O5/c1-12-11-13(20(26)27)8-9-16(12)21-17(23)7-4-10-22-18(24)14-5-2-3-6-15(14)19(22)25/h2-3,5-6,8-9,11H,4,7,10H2,1H3,(H,21,23)(H,26,27)