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

Systemtic Name: 3-[[4-(4-methoxycarbonylpiperazin-1-yl)-3-nitro-phenyl]carbonylamino]-3-(4-methylphenyl)propanoic acid Openeye Name: 3-[[4-(4-methoxycarbonylpiperazin-1-yl)-3-nitro-benzoyl]amino]-3-(p-tolyl)propanoic acid CAS Name: 3-[[[4-(4-methoxycarbonyl-1-piperazinyl)-3-nitrophenyl]-oxomethyl]amino]-3-(4-methylphenyl)propanoic acid IUPAC Name: 3-[[4-(4-methoxycarbonylpiperazin-1-yl)-3-nitrobenzoyl]amino]-3-(4-methylphenyl)propanoic acid Traditional Name: 3-[[4-(4-carbomethoxypiperazino)-3-nitro-benzoyl]amino]-3-(p-tolyl)propionic acid Formula: C23H26N4O7 MolecularWeight: 470.47514

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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)OC)[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)OC)[N+](=O)[O-]

InChI

InChI=1S/C23H26N4O7/c1-15-3-5-16(6-4-15)18(14-21(28)29)24-22(30)17-7-8-19(20(13-17)27(32)33)25-9-11-26(12-10-25)23(31)34-2/h3-8,13,18H,9-12,14H2,1-2H3,(H,24,30)(H,28,29)