2-(4-butoxyphenyl)-6-methyl-quinoline-4-carboxylic acid

Systemtic Name: 2-(4-butoxyphenyl)-6-methyl-quinoline-4-carboxylic acid Openeye Name: 2-(4-butoxyphenyl)-6-methyl-quinoline-4-carboxylic acid CAS Name: 2-(4-butoxyphenyl)-6-methyl-4-quinolinecarboxylic acid IUPAC Name: 2-(4-butoxyphenyl)-6-methylquinoline-4-carboxylic acid Traditional Name: 2-(4-butoxyphenyl)-6-methyl-cinchoninic acid Formula: C21H21NO3 MolecularWeight: 335.39634

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)C)C(=C2)C(=O)O

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)C)C(=C2)C(=O)O

InChI

InChI=1S/C21H21NO3/c1-3-4-11-25-16-8-6-15(7-9-16)20-13-18(21(23)24)17-12-14(2)5-10-19(17)22-20/h5-10,12-13H,3-4,11H2,1-2H3,(H,23,24)