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

Systemtic Name: ethyl 3-methyl-4-[4-(2-pyridin-4-ylpiperazin-1-yl)phenoxy]butanoate Openeye Name: ethyl 3-methyl-4-[4-[2-(4-pyridyl)piperazin-1-yl]phenoxy]butanoate CAS Name: 3-methyl-4-[4-(2-pyridin-4-yl-1-piperazinyl)phenoxy]butanoic acid ethyl ester IUPAC Name: ethyl 3-methyl-4-[4-(2-pyridin-4-ylpiperazin-1-yl)phenoxy]butanoate Traditional Name: 3-methyl-4-[4-[2-(4-pyridyl)piperazino]phenoxy]butyric acid ethyl ester Formula: C22H29N3O3 MolecularWeight: 383.48396

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C)COC1=CC=C(C=C1)N2CCNCC2C3=CC=NC=C3

Isomeric SMILES

CCOC(=O)CC(C)COC1=CC=C(C=C1)N2CCNCC2C3=CC=NC=C3

InChI

InChI=1S/C22H29N3O3/c1-3-27-22(26)14-17(2)16-28-20-6-4-19(5-7-20)25-13-12-24-15-21(25)18-8-10-23-11-9-18/h4-11,17,21,24H,3,12-16H2,1-2H3