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

Systemtic Name: 3-[[4-(2-ethylbutyl)piperazin-1-yl]methyl]-2-phenyl-quinoline-4-carboxylic acid Openeye Name: 3-[[4-(2-ethylbutyl)piperazin-1-yl]methyl]-2-phenyl-quinoline-4-carboxylic acid CAS Name: 3-[[4-(2-ethylbutyl)-1-piperazinyl]methyl]-2-phenyl-4-quinolinecarboxylic acid IUPAC Name: 3-[[4-(2-ethylbutyl)piperazin-1-yl]methyl]-2-phenylquinoline-4-carboxylic acid Traditional Name: 3-[[4-(2-ethylbutyl)piperazino]methyl]-2-phenyl-cinchoninic acid Formula: C27H33N3O2 MolecularWeight: 431.56982

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)CN1CCN(CC1)CC2=C(C3=CC=CC=C3N=C2C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CCC(CC)CN1CCN(CC1)CC2=C(C3=CC=CC=C3N=C2C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C27H33N3O2/c1-3-20(4-2)18-29-14-16-30(17-15-29)19-23-25(27(31)32)22-12-8-9-13-24(22)28-26(23)21-10-6-5-7-11-21/h5-13,20H,3-4,14-19H2,1-2H3,(H,31,32)