2-[4-[(2S)-butan-2-yl]phenyl]quinoline-4-carboxylate

Systemtic Name: 2-[4-[(2S)-butan-2-yl]phenyl]quinoline-4-carboxylate Openeye Name: 2-[4-[(1S)-1-methylpropyl]phenyl]quinoline-4-carboxylate CAS Name: 2-[4-[(2S)-butan-2-yl]phenyl]-4-quinolinecarboxylate IUPAC Name: 2-[4-[(2S)-butan-2-yl]phenyl]quinoline-4-carboxylate Traditional Name: 2-[4-[(1S)-1-methylpropyl]phenyl]cinchoninate Formula: C20H18NO2- MolecularWeight: 304.36242

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C20H19NO2/c1-3-13(2)14-8-10-15(11-9-14)19-12-17(20(22)23)16-6-4-5-7-18(16)21-19/h4-13H,3H2,1-2H3,(H,22,23)/p-1/t13-/m0/s1