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

Systemtic Name: 2-[(3-bromophenyl)methyl-(4-chloranyl-2-ethyl-phenyl)carbonyl-amino]-3-phenyl-propanoic acid Openeye Name: 2-[(3-bromophenyl)methyl-(4-chloro-2-ethyl-benzoyl)amino]-3-phenyl-propanoic acid CAS Name: 2-[(3-bromophenyl)methyl-[(4-chloro-2-ethylphenyl)-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[(3-bromophenyl)methyl-(4-chloro-2-ethylbenzoyl)amino]-3-phenylpropanoic acid Traditional Name: 2-[(3-bromobenzyl)-(4-chloro-2-ethyl-benzoyl)amino]-3-phenyl-propionic acid Formula: C25H23BrClNO3 MolecularWeight: 500.81202

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)Cl)C(=O)N(CC2=CC(=CC=C2)Br)C(CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCC1=C(C=CC(=C1)Cl)C(=O)N(CC2=CC(=CC=C2)Br)C(CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C25H23BrClNO3/c1-2-19-15-21(27)11-12-22(19)24(29)28(16-18-9-6-10-20(26)13-18)23(25(30)31)14-17-7-4-3-5-8-17/h3-13,15,23H,2,14,16H2,1H3,(H,30,31)