methyl 4-[[1-(4-chlorophenyl)-2-(4-pentanoylpiperazin-1-yl)ethoxy]methyl]benzoate

Systemtic Name: methyl 4-[[1-(4-chlorophenyl)-2-(4-pentanoylpiperazin-1-yl)ethoxy]methyl]benzoate Openeye Name: methyl 4-[[1-(4-chlorophenyl)-2-(4-pentanoylpiperazin-1-yl)ethoxy]methyl]benzoate CAS Name: 4-[[1-(4-chlorophenyl)-2-[4-(1-oxopentyl)-1-piperazinyl]ethoxy]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[1-(4-chlorophenyl)-2-(4-pentanoylpiperazin-1-yl)ethoxy]methyl]benzoate Traditional Name: 4-[[1-(4-chlorophenyl)-2-(4-valerylpiperazino)ethoxy]methyl]benzoic acid methyl ester Formula: C26H33ClN2O4 MolecularWeight: 473.00422

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)N1CCN(CC1)CC(C2=CC=C(C=C2)Cl)OCC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CCCCC(=O)N1CCN(CC1)CC(C2=CC=C(C=C2)Cl)OCC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C26H33ClN2O4/c1-3-4-5-25(30)29-16-14-28(15-17-29)18-24(21-10-12-23(27)13-11-21)33-19-20-6-8-22(9-7-20)26(31)32-2/h6-13,24H,3-5,14-19H2,1-2H3