2-[[2-methyl-4-[(4-piperazin-1-ylphenyl)carbonylamino]phenyl]-(phenylcarbonyl)amino]ethanoic acid

Systemtic Name: 2-[[2-methyl-4-[(4-piperazin-1-ylphenyl)carbonylamino]phenyl]-(phenylcarbonyl)amino]ethanoic acid Openeye Name: 2-[N-benzoyl-2-methyl-4-[(4-piperazin-1-ylbenzoyl)amino]anilino]acetic acid CAS Name: 2-[N-benzoyl-2-methyl-4-[[oxo-[4-(1-piperazinyl)phenyl]methyl]amino]anilino]acetic acid IUPAC Name: 2-[N-benzoyl-2-methyl-4-[(4-piperazin-1-ylbenzoyl)amino]anilino]acetic acid Traditional Name: 2-[N-benzoyl-2-methyl-4-[(4-piperazinobenzoyl)amino]anilino]acetic acid Formula: C27H28N4O4 MolecularWeight: 472.53562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C2=CC=C(C=C2)N3CCNCC3)N(CC(=O)O)C(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C2=CC=C(C=C2)N3CCNCC3)N(CC(=O)O)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C27H28N4O4/c1-19-17-22(29-26(34)20-7-10-23(11-8-20)30-15-13-28-14-16-30)9-12-24(19)31(18-25(32)33)27(35)21-5-3-2-4-6-21/h2-12,17,28H,13-16,18H2,1H3,(H,29,34)(H,32,33)