3-[[4-[[1-(2,4-dichlorophenyl)ethyl-[(4-methylphenyl)methyl]amino]methyl]phenyl]carbonylamino]propanoic acid

Systemtic Name: 3-[[4-[[1-(2,4-dichlorophenyl)ethyl-[(4-methylphenyl)methyl]amino]methyl]phenyl]carbonylamino]propanoic acid Openeye Name: 3-[[4-[[1-(2,4-dichlorophenyl)ethyl-(p-tolylmethyl)amino]methyl]benzoyl]amino]propanoic acid CAS Name: 3-[[[4-[[1-(2,4-dichlorophenyl)ethyl-[(4-methylphenyl)methyl]amino]methyl]phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[4-[[1-(2,4-dichlorophenyl)ethyl-[(4-methylphenyl)methyl]amino]methyl]benzoyl]amino]propanoic acid Traditional Name: 3-[[4-[[1-(2,4-dichlorophenyl)ethyl-(4-methylbenzyl)amino]methyl]benzoyl]amino]propionic acid Formula: C27H28Cl2N2O3 MolecularWeight: 499.42882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN(CC2=CC=C(C=C2)C(=O)NCCC(=O)O)C(C)C3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

CC1=CC=C(C=C1)CN(CC2=CC=C(C=C2)C(=O)NCCC(=O)O)C(C)C3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C27H28Cl2N2O3/c1-18-3-5-20(6-4-18)16-31(19(2)24-12-11-23(28)15-25(24)29)17-21-7-9-22(10-8-21)27(34)30-14-13-26(32)33/h3-12,15,19H,13-14,16-17H2,1-2H3,(H,30,34)(H,32,33)