3-[[3-benzamido-4-(4-methoxycarbonylpiperazin-1-yl)phenyl]carbonylamino]-3-(4-fluorophenyl)propanoic acid

Systemtic Name: 3-[[3-benzamido-4-(4-methoxycarbonylpiperazin-1-yl)phenyl]carbonylamino]-3-(4-fluorophenyl)propanoic acid Openeye Name: 3-[[3-benzamido-4-(4-methoxycarbonylpiperazin-1-yl)benzoyl]amino]-3-(4-fluorophenyl)propanoic acid CAS Name: 3-[[[3-benzamido-4-(4-methoxycarbonyl-1-piperazinyl)phenyl]-oxomethyl]amino]-3-(4-fluorophenyl)propanoic acid IUPAC Name: 3-[[3-benzamido-4-(4-methoxycarbonylpiperazin-1-yl)benzoyl]amino]-3-(4-fluorophenyl)propanoic acid Traditional Name: 3-[[3-benzamido-4-(4-carbomethoxypiperazino)benzoyl]amino]-3-(4-fluorophenyl)propionic acid Formula: C29H29FN4O6 MolecularWeight: 548.562163

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC(CC(=O)O)C3=CC=C(C=C3)F)NC(=O)C4=CC=CC=C4

Isomeric SMILES

COC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC(CC(=O)O)C3=CC=C(C=C3)F)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C29H29FN4O6/c1-40-29(39)34-15-13-33(14-16-34)25-12-9-21(17-24(25)32-27(37)20-5-3-2-4-6-20)28(38)31-23(18-26(35)36)19-7-10-22(30)11-8-19/h2-12,17,23H,13-16,18H2,1H3,(H,31,38)(H,32,37)(H,35,36)