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

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethyl)-6-methyl-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylic acid Openeye Name: 2-(1,3-benzodioxol-5-ylmethyl)-6-methyl-1-oxo-4-phenyl-isoquinoline-3-carboxylic acid CAS Name: 2-(1,3-benzodioxol-5-ylmethyl)-6-methyl-1-oxo-4-phenyl-3-isoquinolinecarboxylic acid IUPAC Name: 2-(1,3-benzodioxol-5-ylmethyl)-6-methyl-1-oxo-4-phenylisoquinoline-3-carboxylic acid Traditional Name: 1-keto-6-methyl-4-phenyl-2-piperonyl-isoquinoline-3-carboxylic acid Formula: C25H19NO5 MolecularWeight: 413.42206

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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)O)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

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

InChI

InChI=1S/C25H19NO5/c1-15-7-9-18-19(11-15)22(17-5-3-2-4-6-17)23(25(28)29)26(24(18)27)13-16-8-10-20-21(12-16)31-14-30-20/h2-12H,13-14H2,1H3,(H,28,29)