2-(3-ethoxy-4-phenylmethoxy-phenyl)-8-methoxy-quinoline-4-carboxylate

Systemtic Name: 2-(3-ethoxy-4-phenylmethoxy-phenyl)-8-methoxy-quinoline-4-carboxylate Openeye Name: 2-(4-benzyloxy-3-ethoxy-phenyl)-8-methoxy-quinoline-4-carboxylate CAS Name: 2-(3-ethoxy-4-phenylmethoxyphenyl)-8-methoxy-4-quinolinecarboxylate IUPAC Name: 2-(3-ethoxy-4-phenylmethoxyphenyl)-8-methoxyquinoline-4-carboxylate Traditional Name: 2-(4-benzoxy-3-ethoxy-phenyl)-8-methoxy-cinchoninate Formula: C26H22NO5- MolecularWeight: 428.45658

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2=NC3=C(C=CC=C3OC)C(=C2)C(=O)[O-])OCC4=CC=CC=C4

Isomeric SMILES

CCOC1=C(C=CC(=C1)C2=NC3=C(C=CC=C3OC)C(=C2)C(=O)[O-])OCC4=CC=CC=C4

InChI

InChI=1S/C26H23NO5/c1-3-31-24-14-18(12-13-22(24)32-16-17-8-5-4-6-9-17)21-15-20(26(28)29)19-10-7-11-23(30-2)25(19)27-21/h4-15H,3,16H2,1-2H3,(H,28,29)/p-1