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

Systemtic Name: 3-[[3-[3-benzamido-4-(4-methylpiperazin-1-yl)phenyl]phenyl]methyl-pyridin-3-ylcarbonyl-amino]propanoic acid Openeye Name: 3-[[3-[3-benzamido-4-(4-methylpiperazin-1-yl)phenyl]phenyl]methyl-(pyridine-3-carbonyl)amino]propanoic acid CAS Name: 3-[[3-[3-benzamido-4-(4-methyl-1-piperazinyl)phenyl]phenyl]methyl-[oxo(3-pyridinyl)methyl]amino]propanoic acid IUPAC Name: 3-[[3-[3-benzamido-4-(4-methylpiperazin-1-yl)phenyl]phenyl]methyl-(pyridine-3-carbonyl)amino]propanoic acid Traditional Name: 3-[[3-[3-benzamido-4-(4-methylpiperazino)phenyl]benzyl]-nicotinoyl-amino]propionic acid Formula: C34H35N5O4 MolecularWeight: 577.6728

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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)C4=CN=CC=C4)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)C4=CN=CC=C4)NC(=O)C5=CC=CC=C5

InChI

InChI=1S/C34H35N5O4/c1-37-17-19-38(20-18-37)31-13-12-28(22-30(31)36-33(42)26-8-3-2-4-9-26)27-10-5-7-25(21-27)24-39(16-14-32(40)41)34(43)29-11-6-15-35-23-29/h2-13,15,21-23H,14,16-20,24H2,1H3,(H,36,42)(H,40,41)