3-[(4-cyanophenyl)carbonylamino]-2,2-dimethyl-3-(3-phenylmethoxyphenyl)propanoic acid

Systemtic Name: 3-[(4-cyanophenyl)carbonylamino]-2,2-dimethyl-3-(3-phenylmethoxyphenyl)propanoic acid Openeye Name: 3-(3-benzyloxyphenyl)-3-[(4-cyanobenzoyl)amino]-2,2-dimethyl-propanoic acid CAS Name: 3-[[(4-cyanophenyl)-oxomethyl]amino]-2,2-dimethyl-3-(3-phenylmethoxyphenyl)propanoic acid IUPAC Name: 3-[(4-cyanobenzoyl)amino]-2,2-dimethyl-3-(3-phenylmethoxyphenyl)propanoic acid Traditional Name: 3-(3-benzoxyphenyl)-3-[(4-cyanobenzoyl)amino]-2,2-dimethyl-propionic acid Formula: C26H24N2O4 MolecularWeight: 428.47976

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(C1=CC(=CC=C1)OCC2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)C#N)C(=O)O

Isomeric SMILES

CC(C)(C(C1=CC(=CC=C1)OCC2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)C#N)C(=O)O

InChI

InChI=1S/C26H24N2O4/c1-26(2,25(30)31)23(28-24(29)20-13-11-18(16-27)12-14-20)21-9-6-10-22(15-21)32-17-19-7-4-3-5-8-19/h3-15,23H,17H2,1-2H3,(H,28,29)(H,30,31)