2-[ethanoyl(2-phenoxyethanoyl)amino]-2-(4-pyridin-4-ylpiperazin-1-yl)ethanoic acid

Systemtic Name: 2-[ethanoyl(2-phenoxyethanoyl)amino]-2-(4-pyridin-4-ylpiperazin-1-yl)ethanoic acid Openeye Name: 2-[acetyl-(2-phenoxyacetyl)amino]-2-[4-(4-pyridyl)piperazin-1-yl]acetic acid CAS Name: 2-[acetyl-(1-oxo-2-phenoxyethyl)amino]-2-(4-pyridin-4-yl-1-piperazinyl)acetic acid IUPAC Name: 2-[acetyl-(2-phenoxyacetyl)amino]-2-(4-pyridin-4-ylpiperazin-1-yl)acetic acid Traditional Name: 2-[acetyl-(2-phenoxyacetyl)amino]-2-[4-(4-pyridyl)piperazino]acetic acid Formula: C21H24N4O5 MolecularWeight: 412.43906

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(C(C(=O)O)N1CCN(CC1)C2=CC=NC=C2)C(=O)COC3=CC=CC=C3

Isomeric SMILES

CC(=O)N(C(C(=O)O)N1CCN(CC1)C2=CC=NC=C2)C(=O)COC3=CC=CC=C3

InChI

InChI=1S/C21H24N4O5/c1-16(26)25(19(27)15-30-18-5-3-2-4-6-18)20(21(28)29)24-13-11-23(12-14-24)17-7-9-22-10-8-17/h2-10,20H,11-15H2,1H3,(H,28,29)