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

Systemtic Name: 3-[[3-azanyl-4-(4-methoxycarbonylpiperazin-1-yl)phenyl]carbonylamino]-3-(4-methylphenyl)propanoic acid Openeye Name: 3-[[3-amino-4-(4-methoxycarbonylpiperazin-1-yl)benzoyl]amino]-3-(p-tolyl)propanoic acid CAS Name: 3-[[[3-amino-4-(4-methoxycarbonyl-1-piperazinyl)phenyl]-oxomethyl]amino]-3-(4-methylphenyl)propanoic acid IUPAC Name: 3-[[3-amino-4-(4-methoxycarbonylpiperazin-1-yl)benzoyl]amino]-3-(4-methylphenyl)propanoic acid Traditional Name: 3-[[3-amino-4-(4-carbomethoxypiperazino)benzoyl]amino]-3-(p-tolyl)propionic acid Formula: C23H28N4O5 MolecularWeight: 440.49222

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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

Isomeric SMILES

CC1=CC=C(C=C1)C(CC(=O)O)NC(=O)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)OC)N

InChI

InChI=1S/C23H28N4O5/c1-15-3-5-16(6-4-15)19(14-21(28)29)25-22(30)17-7-8-20(18(24)13-17)26-9-11-27(12-10-26)23(31)32-2/h3-8,13,19H,9-12,14,24H2,1-2H3,(H,25,30)(H,28,29)