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

Systemtic Name: 2-[(4-bromophenyl)-(2,4-dichlorophenyl)carbonyl-amino]-3-phenyl-propanoic acid Openeye Name: 2-(4-bromo-N-(2,4-dichlorobenzoyl)anilino)-3-phenyl-propanoic acid CAS Name: 2-(4-bromo-N-[(2,4-dichlorophenyl)-oxomethyl]anilino)-3-phenylpropanoic acid IUPAC Name: 2-(4-bromo-N-(2,4-dichlorobenzoyl)anilino)-3-phenylpropanoic acid Traditional Name: 2-(4-bromo-N-(2,4-dichlorobenzoyl)anilino)-3-phenyl-propionic acid Formula: C22H16BrCl2NO3 MolecularWeight: 493.17734

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)O)N(C2=CC=C(C=C2)Br)C(=O)C3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)O)N(C2=CC=C(C=C2)Br)C(=O)C3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C22H16BrCl2NO3/c23-15-6-9-17(10-7-15)26(21(27)18-11-8-16(24)13-19(18)25)20(22(28)29)12-14-4-2-1-3-5-14/h1-11,13,20H,12H2,(H,28,29)