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

Systemtic Name: ethyl 4-[2-methyl-4-(4-pyridin-4-ylpiperazin-1-yl)phenoxy]butanoate Openeye Name: ethyl 4-[2-methyl-4-[4-(4-pyridyl)piperazin-1-yl]phenoxy]butanoate CAS Name: 4-[2-methyl-4-(4-pyridin-4-yl-1-piperazinyl)phenoxy]butanoic acid ethyl ester IUPAC Name: ethyl 4-[2-methyl-4-(4-pyridin-4-ylpiperazin-1-yl)phenoxy]butanoate Traditional Name: 4-[2-methyl-4-[4-(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)CCCOC1=C(C=C(C=C1)N2CCN(CC2)C3=CC=NC=C3)C

Isomeric SMILES

CCOC(=O)CCCOC1=C(C=C(C=C1)N2CCN(CC2)C3=CC=NC=C3)C

InChI

InChI=1S/C22H29N3O3/c1-3-27-22(26)5-4-16-28-21-7-6-20(17-18(21)2)25-14-12-24(13-15-25)19-8-10-23-11-9-19/h6-11,17H,3-5,12-16H2,1-2H3