7-chloranyl-8-methyl-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxylate

Systemtic Name: 7-chloranyl-8-methyl-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxylate Openeye Name: 7-chloro-2-(3-isobutoxyphenyl)-8-methyl-quinoline-4-carboxylate CAS Name: 7-chloro-8-methyl-2-[3-(2-methylpropoxy)phenyl]-4-quinolinecarboxylate IUPAC Name: 7-chloro-8-methyl-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxylate Traditional Name: 7-chloro-2-(3-isobutoxyphenyl)-8-methyl-cinchoninate Formula: C21H19ClNO3- MolecularWeight: 368.83346

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20ClNO3/c1-12(2)11-26-15-6-4-5-14(9-15)19-10-17(21(24)25)16-7-8-18(22)13(3)20(16)23-19/h4-10,12H,11H2,1-3H3,(H,24,25)/p-1