2-[4-(3-methylbutoxy)phenyl]quinoline-4-carboxylic acid

Systemtic Name: 2-[4-(3-methylbutoxy)phenyl]quinoline-4-carboxylic acid Openeye Name: 2-(4-isopentyloxyphenyl)quinoline-4-carboxylic acid CAS Name: 2-[4-(3-methylbutoxy)phenyl]-4-quinolinecarboxylic acid IUPAC Name: 2-[4-(3-methylbutoxy)phenyl]quinoline-4-carboxylic acid Traditional Name: 2-(4-isoamoxyphenyl)cinchoninic acid Formula: C21H21NO3 MolecularWeight: 335.39634

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)O

Isomeric SMILES

CC(C)CCOC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)O

InChI

InChI=1S/C21H21NO3/c1-14(2)11-12-25-16-9-7-15(8-10-16)20-13-18(21(23)24)17-5-3-4-6-19(17)22-20/h3-10,13-14H,11-12H2,1-2H3,(H,23,24)