1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-3-[(4-methoxyphenyl)methyl]-4-oxidanylidene-quinoline-2-carboxylic acid

Systemtic Name: 1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-3-[(4-methoxyphenyl)methyl]-4-oxidanylidene-quinoline-2-carboxylic acid Openeye Name: 1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-3-[(4-methoxyphenyl)methyl]-4-oxo-quinoline-2-carboxylic acid CAS Name: 1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-3-[(4-methoxyphenyl)methyl]-4-oxo-2-quinolinecarboxylic acid IUPAC Name: 1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-3-[(4-methoxyphenyl)methyl]-4-oxoquinoline-2-carboxylic acid Traditional Name: 4-keto-1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-3-p-anisyl-quinaldic acid Formula: C27H23NO7 MolecularWeight: 473.47402

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC2=C(N(C3=CC=CC=C3C2=O)CC4=CC5=C(C(=C4)OC)OCO5)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)CC2=C(N(C3=CC=CC=C3C2=O)CC4=CC5=C(C(=C4)OC)OCO5)C(=O)O

InChI

InChI=1S/C27H23NO7/c1-32-18-9-7-16(8-10-18)11-20-24(27(30)31)28(21-6-4-3-5-19(21)25(20)29)14-17-12-22(33-2)26-23(13-17)34-15-35-26/h3-10,12-13H,11,14-15H2,1-2H3,(H,30,31)