2-[[4-(4-bromophenyl)-4-cyano-4-phenyl-butyl]-(carboxymethyl)amino]ethanoic acid

Systemtic Name: 2-[[4-(4-bromophenyl)-4-cyano-4-phenyl-butyl]-(carboxymethyl)amino]ethanoic acid Openeye Name: 2-[[4-(4-bromophenyl)-4-cyano-4-phenyl-butyl]-(carboxymethyl)amino]acetic acid CAS Name: 2-[[4-(4-bromophenyl)-4-cyano-4-phenylbutyl]-(carboxymethyl)amino]acetic acid IUPAC Name: 2-[[4-(4-bromophenyl)-4-cyano-4-phenylbutyl]-(carboxymethyl)amino]acetic acid Traditional Name: 2-[[4-(4-bromophenyl)-4-cyano-4-phenyl-butyl]-(carboxymethyl)amino]acetic acid Formula: C21H21BrN2O4 MolecularWeight: 445.30644

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21BrN2O4/c22-18-9-7-17(8-10-18)21(15-23,16-5-2-1-3-6-16)11-4-12-24(13-19(25)26)14-20(27)28/h1-3,5-10H,4,11-14H2,(H,25,26)(H,27,28)