phenyl 2-methyl-3-oxidanylidene-2-(4-pyridin-4-ylpiperazin-1-yl)butanoate

Systemtic Name: phenyl 2-methyl-3-oxidanylidene-2-(4-pyridin-4-ylpiperazin-1-yl)butanoate Openeye Name: phenyl 2-methyl-3-oxo-2-[4-(4-pyridyl)piperazin-1-yl]butanoate CAS Name: 2-methyl-3-oxo-2-(4-pyridin-4-yl-1-piperazinyl)butanoic acid phenyl ester IUPAC Name: phenyl 2-methyl-3-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)butanoate Traditional Name: 3-keto-2-methyl-2-[4-(4-pyridyl)piperazino]butyric acid phenyl ester Formula: C20H23N3O3 MolecularWeight: 353.41492

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O3/c1-16(24)20(2,19(25)26-18-6-4-3-5-7-18)23-14-12-22(13-15-23)17-8-10-21-11-9-17/h3-11H,12-15H2,1-2H3