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

Systemtic Name: 3-[[3-[3-benzamido-4-(4-methylpiperazin-1-yl)phenyl]phenyl]methyl-cyclopropylcarbonyl-amino]propanoic acid Openeye Name: 3-[[3-[3-benzamido-4-(4-methylpiperazin-1-yl)phenyl]phenyl]methyl-(cyclopropanecarbonyl)amino]propanoic acid CAS Name: 3-[[3-[3-benzamido-4-(4-methyl-1-piperazinyl)phenyl]phenyl]methyl-[cyclopropyl(oxo)methyl]amino]propanoic acid IUPAC Name: 3-[[3-[3-benzamido-4-(4-methylpiperazin-1-yl)phenyl]phenyl]methyl-(cyclopropanecarbonyl)amino]propanoic acid Traditional Name: 3-[[3-[3-benzamido-4-(4-methylpiperazino)phenyl]benzyl]-(cyclopropanecarbonyl)amino]propionic acid Formula: C32H36N4O4 MolecularWeight: 540.65264

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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)NC(=O)C5=CC=CC=C5

Isomeric SMILES

CN1CCN(CC1)C2=C(C=C(C=C2)C3=CC(=CC=C3)CN(CCC(=O)O)C(=O)C4CC4)NC(=O)C5=CC=CC=C5

InChI

InChI=1S/C32H36N4O4/c1-34-16-18-35(19-17-34)29-13-12-27(21-28(29)33-31(39)24-7-3-2-4-8-24)26-9-5-6-23(20-26)22-36(15-14-30(37)38)32(40)25-10-11-25/h2-9,12-13,20-21,25H,10-11,14-19,22H2,1H3,(H,33,39)(H,37,38)