2-[(4-cyanophenyl)methyl-(2,4-dichlorophenyl)carbonyl-amino]-3-phenyl-propanoic acid

Systemtic Name: 2-[(4-cyanophenyl)methyl-(2,4-dichlorophenyl)carbonyl-amino]-3-phenyl-propanoic acid Openeye Name: 2-[(4-cyanophenyl)methyl-(2,4-dichlorobenzoyl)amino]-3-phenyl-propanoic acid CAS Name: 2-[(4-cyanophenyl)methyl-[(2,4-dichlorophenyl)-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[(4-cyanophenyl)methyl-(2,4-dichlorobenzoyl)amino]-3-phenylpropanoic acid Traditional Name: 2-[(4-cyanobenzyl)-(2,4-dichlorobenzoyl)amino]-3-phenyl-propionic acid Formula: C24H18Cl2N2O3 MolecularWeight: 453.31732

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)O)N(CC2=CC=C(C=C2)C#N)C(=O)C3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)O)N(CC2=CC=C(C=C2)C#N)C(=O)C3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C24H18Cl2N2O3/c25-19-10-11-20(21(26)13-19)23(29)28(15-18-8-6-17(14-27)7-9-18)22(24(30)31)12-16-4-2-1-3-5-16/h1-11,13,22H,12,15H2,(H,30,31)