7-chloranyl-8-methyl-2-[4-(2-methylpropyl)phenyl]quinoline-4-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1N=C(C=C2C(=O)[O-])C3=CC=C(C=C3)CC(C)C)Cl

Isomeric SMILES

CC1=C(C=CC2=C1N=C(C=C2C(=O)[O-])C3=CC=C(C=C3)CC(C)C)Cl

InChI

InChI=1S/C21H20ClNO2/c1-12(2)10-14-4-6-15(7-5-14)19-11-17(21(24)25)16-8-9-18(22)13(3)20(16)23-19/h4-9,11-12H,10H2,1-3H3,(H,24,25)/p-1