2-[phenylcarbonyl-(phenylmethyl)amino]-3-(4-pyridin-4-ylpiperazin-1-yl)propanoic acid

Systemtic Name: 2-[phenylcarbonyl-(phenylmethyl)amino]-3-(4-pyridin-4-ylpiperazin-1-yl)propanoic acid Openeye Name: 2-[benzoyl(benzyl)amino]-3-[4-(4-pyridyl)piperazin-1-yl]propanoic acid CAS Name: 2-[benzoyl-(phenylmethyl)amino]-3-(4-pyridin-4-yl-1-piperazinyl)propanoic acid IUPAC Name: 2-[benzoyl(benzyl)amino]-3-(4-pyridin-4-ylpiperazin-1-yl)propanoic acid Traditional Name: 2-[benzoyl(benzyl)amino]-3-[4-(4-pyridyl)piperazino]propionic acid Formula: C26H28N4O3 MolecularWeight: 444.52552

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(C(=O)O)N(CC2=CC=CC=C2)C(=O)C3=CC=CC=C3)C4=CC=NC=C4

Isomeric SMILES

C1CN(CCN1CC(C(=O)O)N(CC2=CC=CC=C2)C(=O)C3=CC=CC=C3)C4=CC=NC=C4

InChI

InChI=1S/C26H28N4O3/c31-25(22-9-5-2-6-10-22)30(19-21-7-3-1-4-8-21)24(26(32)33)20-28-15-17-29(18-16-28)23-11-13-27-14-12-23/h1-14,24H,15-20H2,(H,32,33)