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

Systemtic Name: 2-[2-[4-(3-methylbutoxy)phenyl]ethenyl]quinoline-4-carboxylic acid Openeye Name: 2-[2-(4-isopentyloxyphenyl)vinyl]quinoline-4-carboxylic acid CAS Name: 2-[2-[4-(3-methylbutoxy)phenyl]ethenyl]-4-quinolinecarboxylic acid IUPAC Name: 2-[2-[4-(3-methylbutoxy)phenyl]ethenyl]quinoline-4-carboxylic acid Traditional Name: 2-[2-(4-isoamoxyphenyl)vinyl]cinchoninic acid Formula: C23H23NO3 MolecularWeight: 361.43362

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=CC=C(C=C1)C=CC2=NC3=CC=CC=C3C(=C2)C(=O)O

Isomeric SMILES

CC(C)CCOC1=CC=C(C=C1)C=CC2=NC3=CC=CC=C3C(=C2)C(=O)O

InChI

InChI=1S/C23H23NO3/c1-16(2)13-14-27-19-11-8-17(9-12-19)7-10-18-15-21(23(25)26)20-5-3-4-6-22(20)24-18/h3-12,15-16H,13-14H2,1-2H3,(H,25,26)