methyl 2-(1,3-benzodioxol-5-ylmethyl)-1-oxidanylidene-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate

Systemtic Name: methyl 2-(1,3-benzodioxol-5-ylmethyl)-1-oxidanylidene-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate Openeye Name: methyl 2-(1,3-benzodioxol-5-ylmethyl)-1-oxo-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate CAS Name: 2-(1,3-benzodioxol-5-ylmethyl)-1-oxo-4-(3,4,5-trimethoxyphenyl)-3-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-(1,3-benzodioxol-5-ylmethyl)-1-oxo-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate Traditional Name: 1-keto-2-piperonyl-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylic acid methyl ester Formula: C28H25NO8 MolecularWeight: 503.5

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=C(N(C(=O)C3=CC=CC=C32)CC4=CC5=C(C=C4)OCO5)C(=O)OC

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=C(N(C(=O)C3=CC=CC=C32)CC4=CC5=C(C=C4)OCO5)C(=O)OC

InChI

InChI=1S/C28H25NO8/c1-32-22-12-17(13-23(33-2)26(22)34-3)24-18-7-5-6-8-19(18)27(30)29(25(24)28(31)35-4)14-16-9-10-20-21(11-16)37-15-36-20/h5-13H,14-15H2,1-4H3