2-[carboxymethyl-(4-cyano-4,4-diphenyl-butyl)amino]ethanoic acid

Systemtic Name: 2-[carboxymethyl-(4-cyano-4,4-diphenyl-butyl)amino]ethanoic acid Openeye Name: 2-[carboxymethyl-(4-cyano-4,4-diphenyl-butyl)amino]acetic acid CAS Name: 2-[carboxymethyl-(4-cyano-4,4-diphenylbutyl)amino]acetic acid IUPAC Name: 2-[carboxymethyl-(4-cyano-4,4-diphenylbutyl)amino]acetic acid Traditional Name: 2-[carboxymethyl-(4-cyano-4,4-diphenyl-butyl)amino]acetic acid Formula: C21H22N2O4 MolecularWeight: 366.41038

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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=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O4/c22-16-21(17-8-3-1-4-9-17,18-10-5-2-6-11-18)12-7-13-23(14-19(24)25)15-20(26)27/h1-6,8-11H,7,12-15H2,(H,24,25)(H,26,27)