3-[[1,3-bis(oxidanylidene)-2-(phenylmethyl)isoindol-5-yl]carbonylamino]-4-methyl-benzoic acid

Systemtic Name: 3-[[1,3-bis(oxidanylidene)-2-(phenylmethyl)isoindol-5-yl]carbonylamino]-4-methyl-benzoic acid Openeye Name: 3-[(2-benzyl-1,3-dioxo-isoindoline-5-carbonyl)amino]-4-methyl-benzoic acid CAS Name: 3-[[[1,3-dioxo-2-(phenylmethyl)-5-isoindolyl]-oxomethyl]amino]-4-methylbenzoic acid IUPAC Name: 3-[(2-benzyl-1,3-dioxoisoindole-5-carbonyl)amino]-4-methylbenzoic acid Traditional Name: 3-[(2-benzyl-1,3-diketo-isoindoline-5-carbonyl)amino]-4-methyl-benzoic acid Formula: C24H18N2O5 MolecularWeight: 414.41012

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC4=CC=CC=C4

InChI

InChI=1S/C24H18N2O5/c1-14-7-8-17(24(30)31)12-20(14)25-21(27)16-9-10-18-19(11-16)23(29)26(22(18)28)13-15-5-3-2-4-6-15/h2-12H,13H2,1H3,(H,25,27)(H,30,31)