2-[(3-bromophenyl)methyl-[2-(4-chloranylphenoxy)ethanoyl]amino]-3-phenyl-propanoic acid

Systemtic Name: 2-[(3-bromophenyl)methyl-[2-(4-chloranylphenoxy)ethanoyl]amino]-3-phenyl-propanoic acid Openeye Name: 2-[(3-bromophenyl)methyl-[2-(4-chlorophenoxy)acetyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[(3-bromophenyl)methyl-[2-(4-chlorophenoxy)-1-oxoethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[(3-bromophenyl)methyl-[2-(4-chlorophenoxy)acetyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[(3-bromobenzyl)-[2-(4-chlorophenoxy)acetyl]amino]-3-phenyl-propionic acid Formula: C24H21BrClNO4 MolecularWeight: 502.78484

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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)COC3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)O)N(CC2=CC(=CC=C2)Br)C(=O)COC3=CC=C(C=C3)Cl

InChI

InChI=1S/C24H21BrClNO4/c25-19-8-4-7-18(13-19)15-27(22(24(29)30)14-17-5-2-1-3-6-17)23(28)16-31-21-11-9-20(26)10-12-21/h1-13,22H,14-16H2,(H,29,30)