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

Systemtic Name: methyl 3-[[1,3-bis(oxidanylidene)-2-(1-phenylethyl)isoindol-5-yl]carbonylamino]-2-methyl-benzoate Openeye Name: methyl 3-[[1,3-dioxo-2-(1-phenylethyl)isoindoline-5-carbonyl]amino]-2-methyl-benzoate CAS Name: 3-[[[1,3-dioxo-2-(1-phenylethyl)-5-isoindolyl]-oxomethyl]amino]-2-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[1,3-dioxo-2-(1-phenylethyl)isoindole-5-carbonyl]amino]-2-methylbenzoate Traditional Name: 3-[[1,3-diketo-2-(1-phenylethyl)isoindoline-5-carbonyl]amino]-2-methyl-benzoic acid methyl ester Formula: C26H22N2O5 MolecularWeight: 442.46328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)C(C)C4=CC=CC=C4)C(=O)OC

Isomeric SMILES

CC1=C(C=CC=C1NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)C(C)C4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C26H22N2O5/c1-15-19(26(32)33-3)10-7-11-22(15)27-23(29)18-12-13-20-21(14-18)25(31)28(24(20)30)16(2)17-8-5-4-6-9-17/h4-14,16H,1-3H3,(H,27,29)