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

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethyl)-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylic acid Openeye Name: 2-(1,3-benzodioxol-5-ylmethyl)-1-oxo-4-phenyl-isoquinoline-3-carboxylic acid CAS Name: 2-(1,3-benzodioxol-5-ylmethyl)-1-oxo-4-phenyl-3-isoquinolinecarboxylic acid IUPAC Name: 2-(1,3-benzodioxol-5-ylmethyl)-1-oxo-4-phenylisoquinoline-3-carboxylic acid Traditional Name: 1-keto-4-phenyl-2-piperonyl-isoquinoline-3-carboxylic acid Formula: C24H17NO5 MolecularWeight: 399.39548

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CN3C(=C(C4=CC=CC=C4C3=O)C5=CC=CC=C5)C(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CN3C(=C(C4=CC=CC=C4C3=O)C5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C24H17NO5/c26-23-18-9-5-4-8-17(18)21(16-6-2-1-3-7-16)22(24(27)28)25(23)13-15-10-11-19-20(12-15)30-14-29-19/h1-12H,13-14H2,(H,27,28)