4-(1,3-benzodioxol-5-yl)-5,6-dimethoxy-1-[(2-methylphenyl)methyl]-2-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 4-(1,3-benzodioxol-5-yl)-5,6-dimethoxy-1-[(2-methylphenyl)methyl]-2-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 4-(1,3-benzodioxol-5-yl)-5,6-dimethoxy-1-(o-tolylmethyl)-2-oxo-quinoline-3-carboxylic acid CAS Name: 4-(1,3-benzodioxol-5-yl)-5,6-dimethoxy-1-[(2-methylphenyl)methyl]-2-oxo-3-quinolinecarboxylic acid IUPAC Name: 4-(1,3-benzodioxol-5-yl)-5,6-dimethoxy-1-[(2-methylphenyl)methyl]-2-oxoquinoline-3-carboxylic acid Traditional Name: 4-(1,3-benzodioxol-5-yl)-2-keto-5,6-dimethoxy-1-(2-methylbenzyl)quinoline-3-carboxylic acid Formula: C27H23NO7 MolecularWeight: 473.47402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2C3=C(C(=C(C2=O)C(=O)O)C4=CC5=C(C=C4)OCO5)C(=C(C=C3)OC)OC

Isomeric SMILES

CC1=CC=CC=C1CN2C3=C(C(=C(C2=O)C(=O)O)C4=CC5=C(C=C4)OCO5)C(=C(C=C3)OC)OC

InChI

InChI=1S/C27H23NO7/c1-15-6-4-5-7-17(15)13-28-18-9-11-20(32-2)25(33-3)23(18)22(24(26(28)29)27(30)31)16-8-10-19-21(12-16)35-14-34-19/h4-12H,13-14H2,1-3H3,(H,30,31)