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

Systemtic Name: 2-[(3-bromophenyl)methyl-(4-chloranylphenoxy)carbonyl-amino]-3-phenyl-propanoic acid Openeye Name: 2-[(3-bromophenyl)methyl-(4-chlorophenoxy)carbonyl-amino]-3-phenyl-propanoic acid CAS Name: 2-[(3-bromophenyl)methyl-[(4-chlorophenoxy)-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[(3-bromophenyl)methyl-(4-chlorophenoxy)carbonylamino]-3-phenylpropanoic acid Traditional Name: 2-[(3-bromobenzyl)-(4-chlorophenoxy)carbonyl-amino]-3-phenyl-propionic acid Formula: C23H19BrClNO4 MolecularWeight: 488.75826

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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)OC3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)O)N(CC2=CC(=CC=C2)Br)C(=O)OC3=CC=C(C=C3)Cl

InChI

InChI=1S/C23H19BrClNO4/c24-18-8-4-7-17(13-18)15-26(23(29)30-20-11-9-19(25)10-12-20)21(22(27)28)14-16-5-2-1-3-6-16/h1-13,21H,14-15H2,(H,27,28)