[2-[(4-chlorophenyl)-pyridin-2-yl-methyl]piperazin-1-yl] 2-ethoxybenzoate

Systemtic Name: [2-[(4-chlorophenyl)-pyridin-2-yl-methyl]piperazin-1-yl] 2-ethoxybenzoate Openeye Name: [2-[(4-chlorophenyl)-(2-pyridyl)methyl]piperazin-1-yl] 2-ethoxybenzoate CAS Name: 2-ethoxybenzoic acid [2-[(4-chlorophenyl)-(2-pyridinyl)methyl]-1-piperazinyl] ester IUPAC Name: [2-[(4-chlorophenyl)-pyridin-2-ylmethyl]piperazin-1-yl] 2-ethoxybenzoate Traditional Name: 2-ethoxybenzoic acid [2-[(4-chlorophenyl)-(2-pyridyl)methyl]piperazino] ester Formula: C25H26ClN3O3 MolecularWeight: 451.94524

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C(=O)ON2CCNCC2C(C3=CC=C(C=C3)Cl)C4=CC=CC=N4

Isomeric SMILES

CCOC1=CC=CC=C1C(=O)ON2CCNCC2C(C3=CC=C(C=C3)Cl)C4=CC=CC=N4

InChI

InChI=1S/C25H26ClN3O3/c1-2-31-23-9-4-3-7-20(23)25(30)32-29-16-15-27-17-22(29)24(21-8-5-6-14-28-21)18-10-12-19(26)13-11-18/h3-14,22,24,27H,2,15-17H2,1H3