6-ethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(C=C2C(=O)O)C3=CC=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(C=C2C(=O)O)C3=CC=C(C=C3)OCC4=CC=CC=C4

InChI

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