methyl 2-(1,3-benzodioxol-5-ylmethyl)-6-methyl-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylate

Systemtic Name: methyl 2-(1,3-benzodioxol-5-ylmethyl)-6-methyl-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylate Openeye Name: methyl 2-(1,3-benzodioxol-5-ylmethyl)-6-methyl-1-oxo-4-phenyl-isoquinoline-3-carboxylate CAS Name: 2-(1,3-benzodioxol-5-ylmethyl)-6-methyl-1-oxo-4-phenyl-3-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-(1,3-benzodioxol-5-ylmethyl)-6-methyl-1-oxo-4-phenylisoquinoline-3-carboxylate Traditional Name: 1-keto-6-methyl-4-phenyl-2-piperonyl-isoquinoline-3-carboxylic acid methyl ester Formula: C26H21NO5 MolecularWeight: 427.44864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=O)N(C(=C2C3=CC=CC=C3)C(=O)OC)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=CC2=C(C=C1)C(=O)N(C(=C2C3=CC=CC=C3)C(=O)OC)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C26H21NO5/c1-16-8-10-19-20(12-16)23(18-6-4-3-5-7-18)24(26(29)30-2)27(25(19)28)14-17-9-11-21-22(13-17)32-15-31-21/h3-13H,14-15H2,1-2H3