2-[4-[(2S)-butan-2-yl]phenyl]-7-chloranyl-8-methyl-quinoline-4-carboxylate

Systemtic Name: 2-[4-[(2S)-butan-2-yl]phenyl]-7-chloranyl-8-methyl-quinoline-4-carboxylate Openeye Name: 7-chloro-8-methyl-2-[4-[(1S)-1-methylpropyl]phenyl]quinoline-4-carboxylate CAS Name: 2-[4-[(2S)-butan-2-yl]phenyl]-7-chloro-8-methyl-4-quinolinecarboxylate IUPAC Name: 2-[4-[(2S)-butan-2-yl]phenyl]-7-chloro-8-methylquinoline-4-carboxylate Traditional Name: 7-chloro-8-methyl-2-[4-[(1S)-1-methylpropyl]phenyl]cinchoninate Formula: C21H19ClNO2- MolecularWeight: 352.83406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20ClNO2/c1-4-12(2)14-5-7-15(8-6-14)19-11-17(21(24)25)16-9-10-18(22)13(3)20(16)23-19/h5-12H,4H2,1-3H3,(H,24,25)/p-1/t12-/m0/s1