2-[(3-bromophenyl)methyl-(4-chloranyl-2-iodanyl-phenyl)carbonyl-amino]-3-phenyl-propanoic acid

Systemtic Name: 2-[(3-bromophenyl)methyl-(4-chloranyl-2-iodanyl-phenyl)carbonyl-amino]-3-phenyl-propanoic acid Openeye Name: 2-[(3-bromophenyl)methyl-(4-chloro-2-iodo-benzoyl)amino]-3-phenyl-propanoic acid CAS Name: 2-[(3-bromophenyl)methyl-[(4-chloro-2-iodophenyl)-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[(3-bromophenyl)methyl-(4-chloro-2-iodobenzoyl)amino]-3-phenylpropanoic acid Traditional Name: 2-[(3-bromobenzyl)-(4-chloro-2-iodo-benzoyl)amino]-3-phenyl-propionic acid Formula: C23H18BrClINO3 MolecularWeight: 598.65539

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H18BrClINO3/c24-17-8-4-7-16(11-17)14-27(22(28)19-10-9-18(25)13-20(19)26)21(23(29)30)12-15-5-2-1-3-6-15/h1-11,13,21H,12,14H2,(H,29,30)