2-(3-ethoxy-4-phenylmethoxy-phenyl)-6-methyl-quinoline-4-carboxylic acid

Systemtic Name: 2-(3-ethoxy-4-phenylmethoxy-phenyl)-6-methyl-quinoline-4-carboxylic acid Openeye Name: 2-(4-benzyloxy-3-ethoxy-phenyl)-6-methyl-quinoline-4-carboxylic acid CAS Name: 2-(3-ethoxy-4-phenylmethoxyphenyl)-6-methyl-4-quinolinecarboxylic acid IUPAC Name: 2-(3-ethoxy-4-phenylmethoxyphenyl)-6-methylquinoline-4-carboxylic acid Traditional Name: 2-(4-benzoxy-3-ethoxy-phenyl)-6-methyl-cinchoninic acid Formula: C26H23NO4 MolecularWeight: 413.46512

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2=NC3=C(C=C(C=C3)C)C(=C2)C(=O)O)OCC4=CC=CC=C4

Isomeric SMILES

CCOC1=C(C=CC(=C1)C2=NC3=C(C=C(C=C3)C)C(=C2)C(=O)O)OCC4=CC=CC=C4

InChI

InChI=1S/C26H23NO4/c1-3-30-25-14-19(10-12-24(25)31-16-18-7-5-4-6-8-18)23-15-21(26(28)29)20-13-17(2)9-11-22(20)27-23/h4-15H,3,16H2,1-2H3,(H,28,29)