2-(4-butoxyphenyl)-3-methyl-quinoline-4-carboxylic acid

Systemtic Name: 2-(4-butoxyphenyl)-3-methyl-quinoline-4-carboxylic acid Openeye Name: 2-(4-butoxyphenyl)-3-methyl-quinoline-4-carboxylic acid CAS Name: 2-(4-butoxyphenyl)-3-methyl-4-quinolinecarboxylic acid IUPAC Name: 2-(4-butoxyphenyl)-3-methylquinoline-4-carboxylic acid Traditional Name: 2-(4-butoxyphenyl)-3-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=CC=CC=C3C(=C2C)C(=O)O

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2C)C(=O)O

InChI

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