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

Systemtic Name: 2-(3-methoxy-4-phenylmethoxy-phenyl)-6-methyl-quinoline-4-carboxylic acid Openeye Name: 2-(4-benzyloxy-3-methoxy-phenyl)-6-methyl-quinoline-4-carboxylic acid CAS Name: 2-(3-methoxy-4-phenylmethoxyphenyl)-6-methyl-4-quinolinecarboxylic acid IUPAC Name: 2-(3-methoxy-4-phenylmethoxyphenyl)-6-methylquinoline-4-carboxylic acid Traditional Name: 2-(4-benzoxy-3-methoxy-phenyl)-6-methyl-cinchoninic acid Formula: C25H21NO4 MolecularWeight: 399.43854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C=C2C(=O)O)C3=CC(=C(C=C3)OCC4=CC=CC=C4)OC

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C=C2C(=O)O)C3=CC(=C(C=C3)OCC4=CC=CC=C4)OC

InChI

InChI=1S/C25H21NO4/c1-16-8-10-21-19(12-16)20(25(27)28)14-22(26-21)18-9-11-23(24(13-18)29-2)30-15-17-6-4-3-5-7-17/h3-14H,15H2,1-2H3,(H,27,28)