2-[5-(4-quinolin-2-ylpiperazin-1-yl)hexanoylamino]cyclohexene-1-carboxylic acid

Systemtic Name: 2-[5-(4-quinolin-2-ylpiperazin-1-yl)hexanoylamino]cyclohexene-1-carboxylic acid Openeye Name: 2-[5-[4-(2-quinolyl)piperazin-1-yl]hexanoylamino]cyclohexene-1-carboxylic acid CAS Name: 2-[[1-oxo-5-[4-(2-quinolinyl)-1-piperazinyl]hexyl]amino]-1-cyclohexenecarboxylic acid IUPAC Name: 2-[5-(4-quinolin-2-ylpiperazin-1-yl)hexanoylamino]cyclohexene-1-carboxylic acid Traditional Name: 2-[5-[4-(2-quinolyl)piperazino]hexanoylamino]cyclohexene-1-carboxylic acid Formula: C26H34N4O3 MolecularWeight: 450.57316

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCC(=O)NC1=C(CCCC1)C(=O)O)N2CCN(CC2)C3=NC4=CC=CC=C4C=C3

Isomeric SMILES

CC(CCCC(=O)NC1=C(CCCC1)C(=O)O)N2CCN(CC2)C3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C26H34N4O3/c1-19(7-6-12-25(31)28-23-11-5-3-9-21(23)26(32)33)29-15-17-30(18-16-29)24-14-13-20-8-2-4-10-22(20)27-24/h2,4,8,10,13-14,19H,3,5-7,9,11-12,15-18H2,1H3,(H,28,31)(H,32,33)