3-[[3-[3-benzamido-4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]phenyl]methyl-cyclopropylcarbonyl-amino]propanoic acid

Systemtic Name: 3-[[3-[3-benzamido-4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]phenyl]methyl-cyclopropylcarbonyl-amino]propanoic acid Openeye Name: 3-[[3-[3-benzamido-4-[4-(2-pyridyl)piperazin-1-yl]phenyl]phenyl]methyl-(cyclopropanecarbonyl)amino]propanoic acid CAS Name: 3-[[3-[3-benzamido-4-[4-(2-pyridinyl)-1-piperazinyl]phenyl]phenyl]methyl-[cyclopropyl(oxo)methyl]amino]propanoic acid IUPAC Name: 3-[[3-[3-benzamido-4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]phenyl]methyl-(cyclopropanecarbonyl)amino]propanoic acid Traditional Name: 3-[[3-[3-benzamido-4-[4-(2-pyridyl)piperazino]phenyl]benzyl]-(cyclopropanecarbonyl)amino]propionic acid Formula: C36H37N5O4 MolecularWeight: 603.71008

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)N(CCC(=O)O)CC2=CC=CC(=C2)C3=CC(=C(C=C3)N4CCN(CC4)C5=CC=CC=N5)NC(=O)C6=CC=CC=C6

Isomeric SMILES

C1CC1C(=O)N(CCC(=O)O)CC2=CC=CC(=C2)C3=CC(=C(C=C3)N4CCN(CC4)C5=CC=CC=N5)NC(=O)C6=CC=CC=C6

InChI

InChI=1S/C36H37N5O4/c42-34(43)16-18-41(36(45)28-12-13-28)25-26-7-6-10-29(23-26)30-14-15-32(31(24-30)38-35(44)27-8-2-1-3-9-27)39-19-21-40(22-20-39)33-11-4-5-17-37-33/h1-11,14-15,17,23-24,28H,12-13,16,18-22,25H2,(H,38,44)(H,42,43)