2-[1-(4-chlorophenyl)cyclopropyl]-3-oxidanyl-6-propan-2-yl-quinoline-4-carboxylic acid

Systemtic Name: 2-[1-(4-chlorophenyl)cyclopropyl]-3-oxidanyl-6-propan-2-yl-quinoline-4-carboxylic acid Openeye Name: 2-[1-(4-chlorophenyl)cyclopropyl]-3-hydroxy-6-isopropyl-quinoline-4-carboxylic acid CAS Name: 2-[1-(4-chlorophenyl)cyclopropyl]-3-hydroxy-6-propan-2-yl-4-quinolinecarboxylic acid IUPAC Name: 2-[1-(4-chlorophenyl)cyclopropyl]-3-hydroxy-6-propan-2-ylquinoline-4-carboxylic acid Traditional Name: 2-[1-(4-chlorophenyl)cyclopropyl]-3-hydroxy-6-isopropyl-cinchoninic acid Formula: C22H20ClNO3 MolecularWeight: 381.8521

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC2=C(C(=C(N=C2C=C1)C3(CC3)C4=CC=C(C=C4)Cl)O)C(=O)O

Isomeric SMILES

CC(C)C1=CC2=C(C(=C(N=C2C=C1)C3(CC3)C4=CC=C(C=C4)Cl)O)C(=O)O

InChI

InChI=1S/C22H20ClNO3/c1-12(2)13-3-8-17-16(11-13)18(21(26)27)19(25)20(24-17)22(9-10-22)14-4-6-15(23)7-5-14/h3-8,11-12,25H,9-10H2,1-2H3,(H,26,27)