methyl (E)-4-[1,3-bis(oxidanylidene)isoindol-2-yl]-6-(phenylmethoxycarbonylamino)hex-2-enoate

Systemtic Name: methyl (E)-4-[1,3-bis(oxidanylidene)isoindol-2-yl]-6-(phenylmethoxycarbonylamino)hex-2-enoate Openeye Name: methyl (E)-6-(benzyloxycarbonylamino)-4-(1,3-dioxoisoindolin-2-yl)hex-2-enoate CAS Name: (E)-4-(1,3-dioxo-2-isoindolyl)-6-(phenylmethoxycarbonylamino)-2-hexenoic acid methyl ester IUPAC Name: methyl (E)-4-(1,3-dioxoisoindol-2-yl)-6-(phenylmethoxycarbonylamino)hex-2-enoate Traditional Name: (E)-6-(benzyloxycarbonylamino)-4-phthalimido-hex-2-enoic acid methyl ester Formula: C23H22N2O6 MolecularWeight: 422.43058

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CC(CCNC(=O)OCC1=CC=CC=C1)N2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

COC(=O)/C=C/C(CCNC(=O)OCC1=CC=CC=C1)N2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C23H22N2O6/c1-30-20(26)12-11-17(25-21(27)18-9-5-6-10-19(18)22(25)28)13-14-24-23(29)31-15-16-7-3-2-4-8-16/h2-12,17H,13-15H2,1H3,(H,24,29)/b12-11+