3,6-dimethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylic acid

Systemtic Name: 3,6-dimethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylic acid Openeye Name: 2-(4-benzyloxyphenyl)-3,6-dimethyl-quinoline-4-carboxylic acid CAS Name: 3,6-dimethyl-2-(4-phenylmethoxyphenyl)-4-quinolinecarboxylic acid IUPAC Name: 3,6-dimethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylic acid Traditional Name: 2-(4-benzoxyphenyl)-3,6-dimethyl-cinchoninic acid Formula: C25H21NO3 MolecularWeight: 383.43914

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H21NO3/c1-16-8-13-22-21(14-16)23(25(27)28)17(2)24(26-22)19-9-11-20(12-10-19)29-15-18-6-4-3-5-7-18/h3-14H,15H2,1-2H3,(H,27,28)