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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(N1CCN(CC1=O)C2=CC=NC=C2)OC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CCC(N1CCN(CC1=O)C2=CC=NC=C2)OC3=CC=CC=C3

InChI

InChI=1S/C21H25N3O4/c1-2-27-21(26)9-8-20(28-18-6-4-3-5-7-18)24-15-14-23(16-19(24)25)17-10-12-22-13-11-17/h3-7,10-13,20H,2,8-9,14-16H2,1H3