4-(1,3-benzodioxol-5-yl)-6-ethoxy-2-[(2-methoxyphenyl)methoxy]quinoline-3-carboxylic acid

Systemtic Name: 4-(1,3-benzodioxol-5-yl)-6-ethoxy-2-[(2-methoxyphenyl)methoxy]quinoline-3-carboxylic acid Openeye Name: 4-(1,3-benzodioxol-5-yl)-6-ethoxy-2-[(2-methoxyphenyl)methoxy]quinoline-3-carboxylic acid CAS Name: 4-(1,3-benzodioxol-5-yl)-6-ethoxy-2-[(2-methoxyphenyl)methoxy]-3-quinolinecarboxylic acid IUPAC Name: 4-(1,3-benzodioxol-5-yl)-6-ethoxy-2-[(2-methoxyphenyl)methoxy]quinoline-3-carboxylic acid Traditional Name: 4-(1,3-benzodioxol-5-yl)-6-ethoxy-2-o-anisyloxy-quinoline-3-carboxylic acid Formula: C27H23NO7 MolecularWeight: 473.47402

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C(=C(N=C2C=C1)OCC3=CC=CC=C3OC)C(=O)O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCOC1=CC2=C(C(=C(N=C2C=C1)OCC3=CC=CC=C3OC)C(=O)O)C4=CC5=C(C=C4)OCO5

InChI

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