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

Systemtic Name: methyl 3-[4-[1,3-bis(oxidanylidene)isoindol-2-yl]butanoylamino]-4-methyl-benzoate Openeye Name: methyl 3-[4-(1,3-dioxoisoindolin-2-yl)butanoylamino]-4-methyl-benzoate CAS Name: 3-[[4-(1,3-dioxo-2-isoindolyl)-1-oxobutyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]-4-methylbenzoate Traditional Name: 4-methyl-3-(4-phthalimidobutanoylamino)benzoic acid methyl ester Formula: C21H20N2O5 MolecularWeight: 380.3939

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CCCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CCCN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C21H20N2O5/c1-13-9-10-14(21(27)28-2)12-17(13)22-18(24)8-5-11-23-19(25)15-6-3-4-7-16(15)20(23)26/h3-4,6-7,9-10,12H,5,8,11H2,1-2H3,(H,22,24)