methyl 2-chloranyl-6-[5-(4-quinolin-2-ylpiperazin-1-yl)pentanoylamino]benzoate

Systemtic Name: methyl 2-chloranyl-6-[5-(4-quinolin-2-ylpiperazin-1-yl)pentanoylamino]benzoate Openeye Name: methyl 2-chloro-6-[5-[4-(2-quinolyl)piperazin-1-yl]pentanoylamino]benzoate CAS Name: 2-chloro-6-[[1-oxo-5-[4-(2-quinolinyl)-1-piperazinyl]pentyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-chloro-6-[5-(4-quinolin-2-ylpiperazin-1-yl)pentanoylamino]benzoate Traditional Name: 2-chloro-6-[5-[4-(2-quinolyl)piperazino]pentanoylamino]benzoic acid methyl ester Formula: C26H29ClN4O3 MolecularWeight: 480.98646

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC=C1Cl)NC(=O)CCCCN2CCN(CC2)C3=NC4=CC=CC=C4C=C3

Isomeric SMILES

COC(=O)C1=C(C=CC=C1Cl)NC(=O)CCCCN2CCN(CC2)C3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C26H29ClN4O3/c1-34-26(33)25-20(27)8-6-10-22(25)29-24(32)11-4-5-14-30-15-17-31(18-16-30)23-13-12-19-7-2-3-9-21(19)28-23/h2-3,6-10,12-13H,4-5,11,14-18H2,1H3,(H,29,32)