ethyl 2-[3-(4-pyridin-4-ylpiperazin-1-yl)phenoxy]butanoate

Systemtic Name: ethyl 2-[3-(4-pyridin-4-ylpiperazin-1-yl)phenoxy]butanoate Openeye Name: ethyl 2-[3-[4-(4-pyridyl)piperazin-1-yl]phenoxy]butanoate CAS Name: 2-[3-(4-pyridin-4-yl-1-piperazinyl)phenoxy]butanoic acid ethyl ester IUPAC Name: ethyl 2-[3-(4-pyridin-4-ylpiperazin-1-yl)phenoxy]butanoate Traditional Name: 2-[3-[4-(4-pyridyl)piperazino]phenoxy]butyric acid ethyl ester Formula: C21H27N3O3 MolecularWeight: 369.45738

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OCC)OC1=CC=CC(=C1)N2CCN(CC2)C3=CC=NC=C3

Isomeric SMILES

CCC(C(=O)OCC)OC1=CC=CC(=C1)N2CCN(CC2)C3=CC=NC=C3

InChI

InChI=1S/C21H27N3O3/c1-3-20(21(25)26-4-2)27-19-7-5-6-18(16-19)24-14-12-23(13-15-24)17-8-10-22-11-9-17/h5-11,16,20H,3-4,12-15H2,1-2H3