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

Systemtic Name: methyl 4-[4-[3-oxidanylidene-1-pent-4-enoxy-2-(phenylmethyl)isoindol-1-yl]phenyl]butanoate Openeye Name: methyl 4-[4-(2-benzyl-3-oxo-1-pent-4-enoxy-isoindolin-1-yl)phenyl]butanoate CAS Name: 4-[4-[3-oxo-1-pent-4-enoxy-2-(phenylmethyl)-1-isoindolyl]phenyl]butanoic acid methyl ester IUPAC Name: methyl 4-[4-(2-benzyl-3-oxo-1-pent-4-enoxyisoindol-1-yl)phenyl]butanoate Traditional Name: 4-[4-(2-benzyl-3-keto-1-pent-4-enoxy-isoindolin-1-yl)phenyl]butyric acid methyl ester Formula: C31H33NO4 MolecularWeight: 483.59802

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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)OCCCC=C

Isomeric SMILES

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

InChI

InChI=1S/C31H33NO4/c1-3-4-10-22-36-31(26-20-18-24(19-21-26)14-11-17-29(33)35-2)28-16-9-8-15-27(28)30(34)32(31)23-25-12-6-5-7-13-25/h3,5-9,12-13,15-16,18-21H,1,4,10-11,14,17,22-23H2,2H3