O1-ethanoyl O3-(4-pyridin-4-ylpiperazin-1-yl) 2-phenoxypropanedioate

Systemtic Name: O1-ethanoyl O3-(4-pyridin-4-ylpiperazin-1-yl) 2-phenoxypropanedioate Openeye Name: O1-acetyl O3-[4-(4-pyridyl)piperazin-1-yl] 2-phenoxypropanedioate CAS Name: 2-phenoxypropanedioic acid O1-acetyl ester O3-(4-pyridin-4-yl-1-piperazinyl) ester IUPAC Name: 1-O-acetyl 3-O-(4-pyridin-4-ylpiperazin-1-yl) 2-phenoxypropanedioate Traditional Name: 2-phenoxymalonic acid O1-acetyl ester O3-[4-(4-pyridyl)piperazino] ester Formula: C20H21N3O6 MolecularWeight: 399.39724

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(=O)C(C(=O)ON1CCN(CC1)C2=CC=NC=C2)OC3=CC=CC=C3

Isomeric SMILES

CC(=O)OC(=O)C(C(=O)ON1CCN(CC1)C2=CC=NC=C2)OC3=CC=CC=C3

InChI

InChI=1S/C20H21N3O6/c1-15(24)27-19(25)18(28-17-5-3-2-4-6-17)20(26)29-23-13-11-22(12-14-23)16-7-9-21-10-8-16/h2-10,18H,11-14H2,1H3