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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCC1=CC=C(C=C1)CN2CCN(CC2)C3=CC=NC=C3

Isomeric SMILES

COC(=O)CCCC1=CC=C(C=C1)CN2CCN(CC2)C3=CC=NC=C3

InChI

InChI=1S/C21H27N3O2/c1-26-21(25)4-2-3-18-5-7-19(8-6-18)17-23-13-15-24(16-14-23)20-9-11-22-12-10-20/h5-12H,2-4,13-17H2,1H3