4-(1,3-benzodioxol-5-yl)-2-(2-methylphenyl)-1H-isoquinoline-3-carboxylic acid

Systemtic Name: 4-(1,3-benzodioxol-5-yl)-2-(2-methylphenyl)-1H-isoquinoline-3-carboxylic acid Openeye Name: 4-(1,3-benzodioxol-5-yl)-2-(o-tolyl)-1H-isoquinoline-3-carboxylic acid CAS Name: 4-(1,3-benzodioxol-5-yl)-2-(2-methylphenyl)-1H-isoquinoline-3-carboxylic acid IUPAC Name: 4-(1,3-benzodioxol-5-yl)-2-(2-methylphenyl)-1H-isoquinoline-3-carboxylic acid Traditional Name: 4-(1,3-benzodioxol-5-yl)-2-(o-tolyl)-1H-isoquinoline-3-carboxylic acid Formula: C24H19NO4 MolecularWeight: 385.41196

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CC3=CC=CC=C3C(=C2C(=O)O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=CC=CC=C1N2CC3=CC=CC=C3C(=C2C(=O)O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C24H19NO4/c1-15-6-2-5-9-19(15)25-13-17-7-3-4-8-18(17)22(23(25)24(26)27)16-10-11-20-21(12-16)29-14-28-20/h2-12H,13-14H2,1H3,(H,26,27)