2-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxylic acid

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxylic acid Openeye Name: 2-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid CAS Name: 2-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid IUPAC Name: 2-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid Traditional Name: 2-(1,3-benzodioxol-5-yl)-1-keto-3-(4-methoxyphenyl)-3,4-dihydroisoquinoline-4-carboxylic acid Formula: C24H19NO6 MolecularWeight: 417.41076

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2C(C3=CC=CC=C3C(=O)N2C4=CC5=C(C=C4)OCO5)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C2C(C3=CC=CC=C3C(=O)N2C4=CC5=C(C=C4)OCO5)C(=O)O

InChI

InChI=1S/C24H19NO6/c1-29-16-9-6-14(7-10-16)22-21(24(27)28)17-4-2-3-5-18(17)23(26)25(22)15-8-11-19-20(12-15)31-13-30-19/h2-12,21-22H,13H2,1H3,(H,27,28)