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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C24H18N2O5/c27-21(25-18-9-6-16(7-10-18)24(30)31)17-8-11-19-20(14-17)23(29)26(22(19)28)13-12-15-4-2-1-3-5-15/h1-11,14H,12-13H2,(H,25,27)(H,30,31)