ethyl 4-[4-(2-oxidanylidene-4-pyridin-4-yl-piperazin-1-yl)phenoxy]butanoate

Systemtic Name: ethyl 4-[4-(2-oxidanylidene-4-pyridin-4-yl-piperazin-1-yl)phenoxy]butanoate Openeye Name: ethyl 4-[4-[2-oxo-4-(4-pyridyl)piperazin-1-yl]phenoxy]butanoate CAS Name: 4-[4-(2-oxo-4-pyridin-4-yl-1-piperazinyl)phenoxy]butanoic acid ethyl ester IUPAC Name: ethyl 4-[4-(2-oxo-4-pyridin-4-ylpiperazin-1-yl)phenoxy]butanoate Traditional Name: 4-[4-[2-keto-4-(4-pyridyl)piperazino]phenoxy]butyric acid ethyl ester Formula: C21H25N3O4 MolecularWeight: 383.4409

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O4/c1-2-27-21(26)4-3-15-28-19-7-5-18(6-8-19)24-14-13-23(16-20(24)25)17-9-11-22-12-10-17/h5-12H,2-4,13-16H2,1H3