3-[[4-[[[3,5-bis(chloranyl)phenyl]carbonyl-(2,2-diphenylethyl)amino]methyl]phenyl]carbonylamino]propanoic acid

Systemtic Name: 3-[[4-[[[3,5-bis(chloranyl)phenyl]carbonyl-(2,2-diphenylethyl)amino]methyl]phenyl]carbonylamino]propanoic acid Openeye Name: 3-[[4-[[(3,5-dichlorobenzoyl)-(2,2-diphenylethyl)amino]methyl]benzoyl]amino]propanoic acid CAS Name: 3-[[[4-[[[(3,5-dichlorophenyl)-oxomethyl]-(2,2-diphenylethyl)amino]methyl]phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[4-[[(3,5-dichlorobenzoyl)-(2,2-diphenylethyl)amino]methyl]benzoyl]amino]propanoic acid Traditional Name: 3-[[4-[[(3,5-dichlorobenzoyl)-(2,2-diphenylethyl)amino]methyl]benzoyl]amino]propionic acid Formula: C32H28Cl2N2O4 MolecularWeight: 575.48172

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CN(CC2=CC=C(C=C2)C(=O)NCCC(=O)O)C(=O)C3=CC(=CC(=C3)Cl)Cl)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C(CN(CC2=CC=C(C=C2)C(=O)NCCC(=O)O)C(=O)C3=CC(=CC(=C3)Cl)Cl)C4=CC=CC=C4

InChI

InChI=1S/C32H28Cl2N2O4/c33-27-17-26(18-28(34)19-27)32(40)36(20-22-11-13-25(14-12-22)31(39)35-16-15-30(37)38)21-29(23-7-3-1-4-8-23)24-9-5-2-6-10-24/h1-14,17-19,29H,15-16,20-21H2,(H,35,39)(H,37,38)