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

Systemtic Name: methyl 3-[[1,3-bis(oxidanylidene)-2-(phenylmethyl)isoindol-5-yl]carbonylamino]-4-methyl-benzoate Openeye Name: methyl 3-[(2-benzyl-1,3-dioxo-isoindoline-5-carbonyl)amino]-4-methyl-benzoate CAS Name: 3-[[[1,3-dioxo-2-(phenylmethyl)-5-isoindolyl]-oxomethyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[(2-benzyl-1,3-dioxoisoindole-5-carbonyl)amino]-4-methylbenzoate Traditional Name: 3-[(2-benzyl-1,3-diketo-isoindoline-5-carbonyl)amino]-4-methyl-benzoic acid methyl ester Formula: C25H20N2O5 MolecularWeight: 428.4367

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C25H20N2O5/c1-15-8-9-18(25(31)32-2)13-21(15)26-22(28)17-10-11-19-20(12-17)24(30)27(23(19)29)14-16-6-4-3-5-7-16/h3-13H,14H2,1-2H3,(H,26,28)