2-[4-[(2S)-butan-2-yl]phenyl]-6,8-dimethyl-quinoline-4-carboxylic acid

Systemtic Name: 2-[4-[(2S)-butan-2-yl]phenyl]-6,8-dimethyl-quinoline-4-carboxylic acid Openeye Name: 6,8-dimethyl-2-[4-[(1S)-1-methylpropyl]phenyl]quinoline-4-carboxylic acid CAS Name: 2-[4-[(2S)-butan-2-yl]phenyl]-6,8-dimethyl-4-quinolinecarboxylic acid IUPAC Name: 2-[4-[(2S)-butan-2-yl]phenyl]-6,8-dimethylquinoline-4-carboxylic acid Traditional Name: 6,8-dimethyl-2-[4-[(1S)-1-methylpropyl]phenyl]cinchoninic acid Formula: C22H23NO2 MolecularWeight: 333.42352

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC[C@H](C)C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3C(=C2)C(=O)O)C)C

InChI

InChI=1S/C22H23NO2/c1-5-14(3)16-6-8-17(9-7-16)20-12-19(22(24)25)18-11-13(2)10-15(4)21(18)23-20/h6-12,14H,5H2,1-4H3,(H,24,25)/t14-/m0/s1