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

Systemtic Name: methyl 4-[4-[1,3-bis(oxidanylidene)isoindol-2-yl]butanoyloxy]-3-methoxy-benzoate Openeye Name: methyl 4-[4-(1,3-dioxoisoindolin-2-yl)butanoyloxy]-3-methoxy-benzoate CAS Name: 4-[4-(1,3-dioxo-2-isoindolyl)-1-oxobutoxy]-3-methoxybenzoic acid methyl ester IUPAC Name: methyl 4-[4-(1,3-dioxoisoindol-2-yl)butanoyloxy]-3-methoxybenzoate Traditional Name: 3-methoxy-4-(4-phthalimidobutanoyloxy)benzoic acid methyl ester Formula: C21H19NO7 MolecularWeight: 397.37806

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19NO7/c1-27-17-12-13(21(26)28-2)9-10-16(17)29-18(23)8-5-11-22-19(24)14-6-3-4-7-15(14)20(22)25/h3-4,6-7,9-10,12H,5,8,11H2,1-2H3