methyl 2-[4-[(4-pyridin-4-ylpiperazin-1-yl)methyl]phenyl]butanoate

Systemtic Name: methyl 2-[4-[(4-pyridin-4-ylpiperazin-1-yl)methyl]phenyl]butanoate Openeye Name: methyl 2-[4-[[4-(4-pyridyl)piperazin-1-yl]methyl]phenyl]butanoate CAS Name: 2-[4-[(4-pyridin-4-yl-1-piperazinyl)methyl]phenyl]butanoic acid methyl ester IUPAC Name: methyl 2-[4-[(4-pyridin-4-ylpiperazin-1-yl)methyl]phenyl]butanoate Traditional Name: 2-[4-[[4-(4-pyridyl)piperazino]methyl]phenyl]butyric acid methyl ester Formula: C21H27N3O2 MolecularWeight: 353.45798

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=C(C=C1)CN2CCN(CC2)C3=CC=NC=C3)C(=O)OC

Isomeric SMILES

CCC(C1=CC=C(C=C1)CN2CCN(CC2)C3=CC=NC=C3)C(=O)OC

InChI

InChI=1S/C21H27N3O2/c1-3-20(21(25)26-2)18-6-4-17(5-7-18)16-23-12-14-24(15-13-23)19-8-10-22-11-9-19/h4-11,20H,3,12-16H2,1-2H3