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

Systemtic Name: methyl (Z)-2-(1,3-benzodioxol-5-yl)-3-(isoquinolin-1-ylmethyl)-4-(4-methoxyphenyl)-4-oxidanylidene-but-2-enoate Openeye Name: methyl (Z)-2-(1,3-benzodioxol-5-yl)-3-(1-isoquinolylmethyl)-4-(4-methoxyphenyl)-4-oxo-but-2-enoate CAS Name: (Z)-2-(1,3-benzodioxol-5-yl)-3-(1-isoquinolinylmethyl)-4-(4-methoxyphenyl)-4-oxo-2-butenoic acid methyl ester IUPAC Name: methyl (Z)-2-(1,3-benzodioxol-5-yl)-3-(isoquinolin-1-ylmethyl)-4-(4-methoxyphenyl)-4-oxobut-2-enoate Traditional Name: (Z)-2-(1,3-benzodioxol-5-yl)-3-(1-isoquinolylmethyl)-4-keto-4-(4-methoxyphenyl)but-2-enoic acid methyl ester Formula: C29H23NO6 MolecularWeight: 481.49602

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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=NC=CC5=CC=CC=C54

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)/C(=C(/C2=CC3=C(C=C2)OCO3)\C(=O)OC)/CC4=NC=CC5=CC=CC=C54

InChI

InChI=1S/C29H23NO6/c1-33-21-10-7-19(8-11-21)28(31)23(16-24-22-6-4-3-5-18(22)13-14-30-24)27(29(32)34-2)20-9-12-25-26(15-20)36-17-35-25/h3-15H,16-17H2,1-2H3/b27-23-