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

Systemtic Name: methyl 2-[4-[1,3-bis(oxidanylidene)isoindol-2-yl]butanoylamino]-4,5-dimethoxy-benzoate Openeye Name: methyl 2-[4-(1,3-dioxoisoindolin-2-yl)butanoylamino]-4,5-dimethoxy-benzoate CAS Name: 2-[[4-(1,3-dioxo-2-isoindolyl)-1-oxobutyl]amino]-4,5-dimethoxybenzoic acid methyl ester IUPAC Name: methyl 2-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]-4,5-dimethoxybenzoate Traditional Name: 4,5-dimethoxy-2-(4-phthalimidobutanoylamino)benzoic acid methyl ester Formula: C22H22N2O7 MolecularWeight: 426.41928

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OC)NC(=O)CCCN2C(=O)C3=CC=CC=C3C2=O)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OC)NC(=O)CCCN2C(=O)C3=CC=CC=C3C2=O)OC

InChI

InChI=1S/C22H22N2O7/c1-29-17-11-15(22(28)31-3)16(12-18(17)30-2)23-19(25)9-6-10-24-20(26)13-7-4-5-8-14(13)21(24)27/h4-5,7-8,11-12H,6,9-10H2,1-3H3,(H,23,25)