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

Systemtic Name: 2-[(3-bromophenyl)methyl-(2,4-dimethylphenyl)carbonyl-amino]-3-phenyl-propanoic acid Openeye Name: 2-[(3-bromophenyl)methyl-(2,4-dimethylbenzoyl)amino]-3-phenyl-propanoic acid CAS Name: 2-[(3-bromophenyl)methyl-[(2,4-dimethylphenyl)-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[(3-bromophenyl)methyl-(2,4-dimethylbenzoyl)amino]-3-phenylpropanoic acid Traditional Name: 2-[(3-bromobenzyl)-(2,4-dimethylbenzoyl)amino]-3-phenyl-propionic acid Formula: C25H24BrNO3 MolecularWeight: 466.36696

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)N(CC2=CC(=CC=C2)Br)C(CC3=CC=CC=C3)C(=O)O)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)N(CC2=CC(=CC=C2)Br)C(CC3=CC=CC=C3)C(=O)O)C

InChI

InChI=1S/C25H24BrNO3/c1-17-11-12-22(18(2)13-17)24(28)27(16-20-9-6-10-21(26)14-20)23(25(29)30)15-19-7-4-3-5-8-19/h3-14,23H,15-16H2,1-2H3,(H,29,30)