(5-ethanoyl-2-methoxy-phenyl)methyl 4-[1,3-bis(oxidanylidene)isoindol-2-yl]butanoate

Systemtic Name: (5-ethanoyl-2-methoxy-phenyl)methyl 4-[1,3-bis(oxidanylidene)isoindol-2-yl]butanoate Openeye Name: (5-acetyl-2-methoxy-phenyl)methyl 4-(1,3-dioxoisoindolin-2-yl)butanoate CAS Name: 4-(1,3-dioxo-2-isoindolyl)butanoic acid (5-acetyl-2-methoxyphenyl)methyl ester IUPAC Name: (5-acetyl-2-methoxyphenyl)methyl 4-(1,3-dioxoisoindol-2-yl)butanoate Traditional Name: 4-phthalimidobutyric acid (5-acetyl-2-methoxy-benzyl) ester Formula: C22H21NO6 MolecularWeight: 395.40524

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21NO6/c1-14(24)15-9-10-19(28-2)16(12-15)13-29-20(25)8-5-11-23-21(26)17-6-3-4-7-18(17)22(23)27/h3-4,6-7,9-10,12H,5,8,11,13H2,1-2H3