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

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethyl)-1-oxidanylidene-4,6-diphenyl-isoquinoline-3-carboxylic acid Openeye Name: 2-(1,3-benzodioxol-5-ylmethyl)-1-oxo-4,6-diphenyl-isoquinoline-3-carboxylic acid CAS Name: 2-(1,3-benzodioxol-5-ylmethyl)-1-oxo-4,6-diphenyl-3-isoquinolinecarboxylic acid IUPAC Name: 2-(1,3-benzodioxol-5-ylmethyl)-1-oxo-4,6-diphenylisoquinoline-3-carboxylic acid Traditional Name: 1-keto-4,6-diphenyl-2-piperonyl-isoquinoline-3-carboxylic acid Formula: C30H21NO5 MolecularWeight: 475.49144

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CN3C(=C(C4=C(C3=O)C=CC(=C4)C5=CC=CC=C5)C6=CC=CC=C6)C(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CN3C(=C(C4=C(C3=O)C=CC(=C4)C5=CC=CC=C5)C6=CC=CC=C6)C(=O)O

InChI

InChI=1S/C30H21NO5/c32-29-23-13-12-22(20-7-3-1-4-8-20)16-24(23)27(21-9-5-2-6-10-21)28(30(33)34)31(29)17-19-11-14-25-26(15-19)36-18-35-25/h1-16H,17-18H2,(H,33,34)