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

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethyl)-6-morpholin-4-yl-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylic acid Openeye Name: 2-(1,3-benzodioxol-5-ylmethyl)-6-morpholino-1-oxo-4-phenyl-isoquinoline-3-carboxylic acid CAS Name: 2-(1,3-benzodioxol-5-ylmethyl)-6-(4-morpholinyl)-1-oxo-4-phenyl-3-isoquinolinecarboxylic acid IUPAC Name: 2-(1,3-benzodioxol-5-ylmethyl)-6-morpholin-4-yl-1-oxo-4-phenylisoquinoline-3-carboxylic acid Traditional Name: 1-keto-6-morpholino-4-phenyl-2-piperonyl-isoquinoline-3-carboxylic acid Formula: C28H24N2O6 MolecularWeight: 484.49996

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CC3=C(C=C2)C(=O)N(C(=C3C4=CC=CC=C4)C(=O)O)CC5=CC6=C(C=C5)OCO6

Isomeric SMILES

C1COCCN1C2=CC3=C(C=C2)C(=O)N(C(=C3C4=CC=CC=C4)C(=O)O)CC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C28H24N2O6/c31-27-21-8-7-20(29-10-12-34-13-11-29)15-22(21)25(19-4-2-1-3-5-19)26(28(32)33)30(27)16-18-6-9-23-24(14-18)36-17-35-23/h1-9,14-15H,10-13,16-17H2,(H,32,33)