3-[[4-(4-cyclopropylcarbonylpiperazin-1-yl)-3-nitro-phenyl]carbonylamino]-3-(4-methylphenyl)propanoic acid

Systemtic Name: 3-[[4-(4-cyclopropylcarbonylpiperazin-1-yl)-3-nitro-phenyl]carbonylamino]-3-(4-methylphenyl)propanoic acid Openeye Name: 3-[[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-nitro-benzoyl]amino]-3-(p-tolyl)propanoic acid CAS Name: 3-[[[4-[4-[cyclopropyl(oxo)methyl]-1-piperazinyl]-3-nitrophenyl]-oxomethyl]amino]-3-(4-methylphenyl)propanoic acid IUPAC Name: 3-[[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-nitrobenzoyl]amino]-3-(4-methylphenyl)propanoic acid Traditional Name: 3-[[4-[4-(cyclopropanecarbonyl)piperazino]-3-nitro-benzoyl]amino]-3-(p-tolyl)propionic acid Formula: C25H28N4O6 MolecularWeight: 480.51302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CC(=O)O)NC(=O)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)C4CC4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C(CC(=O)O)NC(=O)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)C4CC4)[N+](=O)[O-]

InChI

InChI=1S/C25H28N4O6/c1-16-2-4-17(5-3-16)20(15-23(30)31)26-24(32)19-8-9-21(22(14-19)29(34)35)27-10-12-28(13-11-27)25(33)18-6-7-18/h2-5,8-9,14,18,20H,6-7,10-13,15H2,1H3,(H,26,32)(H,30,31)