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

Systemtic Name: 3-[[3-[3-azanyl-4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]phenyl]methyl-cyclopropylcarbonyl-amino]propanoic acid Openeye Name: 3-[[3-[3-amino-4-[4-(2-pyridyl)piperazin-1-yl]phenyl]phenyl]methyl-(cyclopropanecarbonyl)amino]propanoic acid CAS Name: 3-[[3-[3-amino-4-[4-(2-pyridinyl)-1-piperazinyl]phenyl]phenyl]methyl-[cyclopropyl(oxo)methyl]amino]propanoic acid IUPAC Name: 3-[[3-[3-amino-4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]phenyl]methyl-(cyclopropanecarbonyl)amino]propanoic acid Traditional Name: 3-[[3-[3-amino-4-[4-(2-pyridyl)piperazino]phenyl]benzyl]-(cyclopropanecarbonyl)amino]propionic acid Formula: C29H33N5O3 MolecularWeight: 499.60402

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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)N

Isomeric SMILES

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

InChI

InChI=1S/C29H33N5O3/c30-25-19-24(9-10-26(25)32-14-16-33(17-15-32)27-6-1-2-12-31-27)23-5-3-4-21(18-23)20-34(13-11-28(35)36)29(37)22-7-8-22/h1-6,9-10,12,18-19,22H,7-8,11,13-17,20,30H2,(H,35,36)