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

Systemtic Name: 3-[[3-[3-azanyl-4-(4-methylpiperazin-1-yl)phenyl]phenyl]methyl-cyclopropylcarbonyl-amino]propanoic acid Openeye Name: 3-[[3-[3-amino-4-(4-methylpiperazin-1-yl)phenyl]phenyl]methyl-(cyclopropanecarbonyl)amino]propanoic acid CAS Name: 3-[[3-[3-amino-4-(4-methyl-1-piperazinyl)phenyl]phenyl]methyl-[cyclopropyl(oxo)methyl]amino]propanoic acid IUPAC Name: 3-[[3-[3-amino-4-(4-methylpiperazin-1-yl)phenyl]phenyl]methyl-(cyclopropanecarbonyl)amino]propanoic acid Traditional Name: 3-[[3-[3-amino-4-(4-methylpiperazino)phenyl]benzyl]-(cyclopropanecarbonyl)amino]propionic acid Formula: C25H32N4O3 MolecularWeight: 436.54658

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C=C(C=C2)C3=CC(=CC=C3)CN(CCC(=O)O)C(=O)C4CC4)N

Isomeric SMILES

CN1CCN(CC1)C2=C(C=C(C=C2)C3=CC(=CC=C3)CN(CCC(=O)O)C(=O)C4CC4)N

InChI

InChI=1S/C25H32N4O3/c1-27-11-13-28(14-12-27)23-8-7-21(16-22(23)26)20-4-2-3-18(15-20)17-29(10-9-24(30)31)25(32)19-5-6-19/h2-4,7-8,15-16,19H,5-6,9-14,17,26H2,1H3,(H,30,31)