3-[[4-(cyclohexylmethyl)piperazin-1-yl]methyl]-2-phenyl-quinoline-4-carboxylic acid

Systemtic Name: 3-[[4-(cyclohexylmethyl)piperazin-1-yl]methyl]-2-phenyl-quinoline-4-carboxylic acid Openeye Name: 3-[[4-(cyclohexylmethyl)piperazin-1-yl]methyl]-2-phenyl-quinoline-4-carboxylic acid CAS Name: 3-[[4-(cyclohexylmethyl)-1-piperazinyl]methyl]-2-phenyl-4-quinolinecarboxylic acid IUPAC Name: 3-[[4-(cyclohexylmethyl)piperazin-1-yl]methyl]-2-phenylquinoline-4-carboxylic acid Traditional Name: 3-[[4-(cyclohexylmethyl)piperazino]methyl]-2-phenyl-cinchoninic acid Formula: C28H33N3O2 MolecularWeight: 443.58052

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CN2CCN(CC2)CC3=C(C4=CC=CC=C4N=C3C5=CC=CC=C5)C(=O)O

Isomeric SMILES

C1CCC(CC1)CN2CCN(CC2)CC3=C(C4=CC=CC=C4N=C3C5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C28H33N3O2/c32-28(33)26-23-13-7-8-14-25(23)29-27(22-11-5-2-6-12-22)24(26)20-31-17-15-30(16-18-31)19-21-9-3-1-4-10-21/h2,5-8,11-14,21H,1,3-4,9-10,15-20H2,(H,32,33)