2-[[2-[(4-chlorophenyl)-pyridin-2-yl-methyl]piperazin-1-yl]-ethoxy-amino]benzoic acid

Systemtic Name: 2-[[2-[(4-chlorophenyl)-pyridin-2-yl-methyl]piperazin-1-yl]-ethoxy-amino]benzoic acid Openeye Name: 2-[[2-[(4-chlorophenyl)-(2-pyridyl)methyl]piperazin-1-yl]-ethoxy-amino]benzoic acid CAS Name: 2-[[2-[(4-chlorophenyl)-(2-pyridinyl)methyl]-1-piperazinyl]-ethoxyamino]benzoic acid IUPAC Name: 2-[[2-[(4-chlorophenyl)-pyridin-2-ylmethyl]piperazin-1-yl]-ethoxyamino]benzoic acid Traditional Name: 2-[[2-[(4-chlorophenyl)-(2-pyridyl)methyl]piperazino]-ethoxy-amino]benzoic acid Formula: C25H27ClN4O3 MolecularWeight: 466.95988

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Descriptors Computed from Structure

Canonical SMILES:

CCON(C1=CC=CC=C1C(=O)O)N2CCNCC2C(C3=CC=C(C=C3)Cl)C4=CC=CC=N4

Isomeric SMILES

CCON(C1=CC=CC=C1C(=O)O)N2CCNCC2C(C3=CC=C(C=C3)Cl)C4=CC=CC=N4

InChI

InChI=1S/C25H27ClN4O3/c1-2-33-30(22-9-4-3-7-20(22)25(31)32)29-16-15-27-17-23(29)24(21-8-5-6-14-28-21)18-10-12-19(26)13-11-18/h3-14,23-24,27H,2,15-17H2,1H3,(H,31,32)