2-[phenylcarbonyl-(phenylmethyl)amino]-2-(4-pyridin-4-ylpiperazin-1-yl)propanoic acid

Systemtic Name: 2-[phenylcarbonyl-(phenylmethyl)amino]-2-(4-pyridin-4-ylpiperazin-1-yl)propanoic acid Openeye Name: 2-[benzoyl(benzyl)amino]-2-[4-(4-pyridyl)piperazin-1-yl]propanoic acid CAS Name: 2-[benzoyl-(phenylmethyl)amino]-2-(4-pyridin-4-yl-1-piperazinyl)propanoic acid IUPAC Name: 2-[benzoyl(benzyl)amino]-2-(4-pyridin-4-ylpiperazin-1-yl)propanoic acid Traditional Name: 2-[benzoyl(benzyl)amino]-2-[4-(4-pyridyl)piperazino]propionic acid Formula: C26H28N4O3 MolecularWeight: 444.52552

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)(N1CCN(CC1)C2=CC=NC=C2)N(CC3=CC=CC=C3)C(=O)C4=CC=CC=C4

Isomeric SMILES

CC(C(=O)O)(N1CCN(CC1)C2=CC=NC=C2)N(CC3=CC=CC=C3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C26H28N4O3/c1-26(25(32)33,29-18-16-28(17-19-29)23-12-14-27-15-13-23)30(20-21-8-4-2-5-9-21)24(31)22-10-6-3-7-11-22/h2-15H,16-20H2,1H3,(H,32,33)