methyl 4-[4-[1-oxidanyl-3-oxidanylidene-2-(phenylmethyl)isoindol-1-yl]phenyl]butanoate

Systemtic Name: methyl 4-[4-[1-oxidanyl-3-oxidanylidene-2-(phenylmethyl)isoindol-1-yl]phenyl]butanoate Openeye Name: methyl 4-[4-(2-benzyl-1-hydroxy-3-oxo-isoindolin-1-yl)phenyl]butanoate CAS Name: 4-[4-[1-hydroxy-3-oxo-2-(phenylmethyl)-1-isoindolyl]phenyl]butanoic acid methyl ester IUPAC Name: methyl 4-[4-(2-benzyl-1-hydroxy-3-oxoisoindol-1-yl)phenyl]butanoate Traditional Name: 4-[4-(2-benzyl-1-hydroxy-3-keto-isoindolin-1-yl)phenyl]butyric acid methyl ester Formula: C26H25NO4 MolecularWeight: 415.481

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCC1=CC=C(C=C1)C2(C3=CC=CC=C3C(=O)N2CC4=CC=CC=C4)O

Isomeric SMILES

COC(=O)CCCC1=CC=C(C=C1)C2(C3=CC=CC=C3C(=O)N2CC4=CC=CC=C4)O

InChI

InChI=1S/C26H25NO4/c1-31-24(28)13-7-10-19-14-16-21(17-15-19)26(30)23-12-6-5-11-22(23)25(29)27(26)18-20-8-3-2-4-9-20/h2-6,8-9,11-12,14-17,30H,7,10,13,18H2,1H3