2-[[5-azanyl-4-(4-bromophenyl)-5-oxidanylidene-4-phenyl-pentyl]-(carboxymethyl)amino]ethanoic acid

Systemtic Name: 2-[[5-azanyl-4-(4-bromophenyl)-5-oxidanylidene-4-phenyl-pentyl]-(carboxymethyl)amino]ethanoic acid Openeye Name: 2-[[5-amino-4-(4-bromophenyl)-5-oxo-4-phenyl-pentyl]-(carboxymethyl)amino]acetic acid CAS Name: 2-[[5-amino-4-(4-bromophenyl)-5-oxo-4-phenylpentyl]-(carboxymethyl)amino]acetic acid IUPAC Name: 2-[[5-amino-4-(4-bromophenyl)-5-oxo-4-phenylpentyl]-(carboxymethyl)amino]acetic acid Traditional Name: 2-[[5-amino-4-(4-bromophenyl)-5-keto-4-phenyl-pentyl]-(carboxymethyl)amino]acetic acid Formula: C21H23BrN2O5 MolecularWeight: 463.32172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CCCN(CC(=O)O)CC(=O)O)(C2=CC=C(C=C2)Br)C(=O)N

Isomeric SMILES

C1=CC=C(C=C1)C(CCCN(CC(=O)O)CC(=O)O)(C2=CC=C(C=C2)Br)C(=O)N

InChI

InChI=1S/C21H23BrN2O5/c22-17-9-7-16(8-10-17)21(20(23)29,15-5-2-1-3-6-15)11-4-12-24(13-18(25)26)14-19(27)28/h1-3,5-10H,4,11-14H2,(H2,23,29)(H,25,26)(H,27,28)