2-(3-chlorophenyl)-3-methyl-quinoline-4-carboxylic acid; cyclohexanamine

Systemtic Name: 2-(3-chlorophenyl)-3-methyl-quinoline-4-carboxylic acid; cyclohexanamine Openeye Name: 2-(3-chlorophenyl)-3-methyl-quinoline-4-carboxylic acid; cyclohexanamine CAS Name: 2-(3-chlorophenyl)-3-methyl-4-quinolinecarboxylic acid; cyclohexanamine IUPAC Name: 2-(3-chlorophenyl)-3-methylquinoline-4-carboxylic acid; cyclohexanamine Traditional Name: 2-(3-chlorophenyl)-3-methyl-cinchoninic acid; cyclohexylamine Formula: C23H25ClN2O2 MolecularWeight: 396.9098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N=C1C3=CC(=CC=C3)Cl)C(=O)O.C1CCC(CC1)N

Isomeric SMILES

CC1=C(C2=CC=CC=C2N=C1C3=CC(=CC=C3)Cl)C(=O)O.C1CCC(CC1)N

InChI

InChI=1S/C17H12ClNO2.C6H13N/c1-10-15(17(20)21)13-7-2-3-8-14(13)19-16(10)11-5-4-6-12(18)9-11;7-6-4-2-1-3-5-6/h2-9H,1H3,(H,20,21);6H,1-5,7H2