methyl (Z)-2-(1,3-benzodioxol-5-yl)-4-(4-methoxyphenyl)-4-oxidanylidene-3-(pyridin-3-ylmethyl)but-2-enoate

Systemtic Name: methyl (Z)-2-(1,3-benzodioxol-5-yl)-4-(4-methoxyphenyl)-4-oxidanylidene-3-(pyridin-3-ylmethyl)but-2-enoate Openeye Name: methyl (Z)-2-(1,3-benzodioxol-5-yl)-4-(4-methoxyphenyl)-4-oxo-3-(3-pyridylmethyl)but-2-enoate CAS Name: (Z)-2-(1,3-benzodioxol-5-yl)-4-(4-methoxyphenyl)-4-oxo-3-(3-pyridinylmethyl)-2-butenoic acid methyl ester IUPAC Name: methyl (Z)-2-(1,3-benzodioxol-5-yl)-4-(4-methoxyphenyl)-4-oxo-3-(pyridin-3-ylmethyl)but-2-enoate Traditional Name: (Z)-2-(1,3-benzodioxol-5-yl)-4-keto-4-(4-methoxyphenyl)-3-(3-pyridylmethyl)but-2-enoic acid methyl ester Formula: C25H21NO6 MolecularWeight: 431.43734

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)C(=C(C2=CC3=C(C=C2)OCO3)C(=O)OC)CC4=CN=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)/C(=C(/C2=CC3=C(C=C2)OCO3)\C(=O)OC)/CC4=CN=CC=C4

InChI

InChI=1S/C25H21NO6/c1-29-19-8-5-17(6-9-19)24(27)20(12-16-4-3-11-26-14-16)23(25(28)30-2)18-7-10-21-22(13-18)32-15-31-21/h3-11,13-14H,12,15H2,1-2H3/b23-20-