4-(7-methoxy-1,3-benzodioxol-5-yl)-2-(2-methylphenyl)-1H-isoquinoline-3-carboxylic acid

Systemtic Name: 4-(7-methoxy-1,3-benzodioxol-5-yl)-2-(2-methylphenyl)-1H-isoquinoline-3-carboxylic acid Openeye Name: 4-(7-methoxy-1,3-benzodioxol-5-yl)-2-(o-tolyl)-1H-isoquinoline-3-carboxylic acid CAS Name: 4-(7-methoxy-1,3-benzodioxol-5-yl)-2-(2-methylphenyl)-1H-isoquinoline-3-carboxylic acid IUPAC Name: 4-(7-methoxy-1,3-benzodioxol-5-yl)-2-(2-methylphenyl)-1H-isoquinoline-3-carboxylic acid Traditional Name: 4-(7-methoxy-1,3-benzodioxol-5-yl)-2-(o-tolyl)-1H-isoquinoline-3-carboxylic acid Formula: C25H21NO5 MolecularWeight: 415.43794

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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)OC)OCO5

Isomeric SMILES

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

InChI

InChI=1S/C25H21NO5/c1-15-7-3-6-10-19(15)26-13-16-8-4-5-9-18(16)22(23(26)25(27)28)17-11-20(29-2)24-21(12-17)30-14-31-24/h3-12H,13-14H2,1-2H3,(H,27,28)