(2-chloranyl-4-cyano-phenyl) 2-propan-2-ylquinoline-4-carboxylate

Systemtic Name: (2-chloranyl-4-cyano-phenyl) 2-propan-2-ylquinoline-4-carboxylate Openeye Name: (2-chloro-4-cyano-phenyl) 2-isopropylquinoline-4-carboxylate CAS Name: 2-propan-2-yl-4-quinolinecarboxylic acid (2-chloro-4-cyanophenyl) ester IUPAC Name: (2-chloro-4-cyanophenyl) 2-propan-2-ylquinoline-4-carboxylate Traditional Name: 2-isopropylcinchoninic acid (2-chloro-4-cyano-phenyl) ester Formula: C20H15ClN2O2 MolecularWeight: 350.7983

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC2=CC=CC=C2C(=C1)C(=O)OC3=C(C=C(C=C3)C#N)Cl

Isomeric SMILES

CC(C)C1=NC2=CC=CC=C2C(=C1)C(=O)OC3=C(C=C(C=C3)C#N)Cl

InChI

InChI=1S/C20H15ClN2O2/c1-12(2)18-10-15(14-5-3-4-6-17(14)23-18)20(24)25-19-8-7-13(11-22)9-16(19)21/h3-10,12H,1-2H3