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

Systemtic Name: methyl 3-[[1,3-bis(oxidanylidene)-2-(1-phenylethyl)isoindol-5-yl]carbonylamino]-4-methyl-benzoate Openeye Name: methyl 3-[[1,3-dioxo-2-(1-phenylethyl)isoindoline-5-carbonyl]amino]-4-methyl-benzoate CAS Name: 3-[[[1,3-dioxo-2-(1-phenylethyl)-5-isoindolyl]-oxomethyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[1,3-dioxo-2-(1-phenylethyl)isoindole-5-carbonyl]amino]-4-methylbenzoate Traditional Name: 3-[[1,3-diketo-2-(1-phenylethyl)isoindoline-5-carbonyl]amino]-4-methyl-benzoic acid methyl ester Formula: C26H22N2O5 MolecularWeight: 442.46328

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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)C(C)C4=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)C(C)C4=CC=CC=C4

InChI

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