(phenylmethyl) (3R)-4-(3-cyanophenoxy)-3-[(4-cyanophenyl)carbonylamino]butanoate

Systemtic Name: (phenylmethyl) (3R)-4-(3-cyanophenoxy)-3-[(4-cyanophenyl)carbonylamino]butanoate Openeye Name: benzyl (3R)-3-[(4-cyanobenzoyl)amino]-4-(3-cyanophenoxy)butanoate CAS Name: (3R)-4-(3-cyanophenoxy)-3-[[(4-cyanophenyl)-oxomethyl]amino]butanoic acid (phenylmethyl) ester IUPAC Name: benzyl (3R)-3-[(4-cyanobenzoyl)amino]-4-(3-cyanophenoxy)butanoate Traditional Name: (3R)-3-[(4-cyanobenzoyl)amino]-4-(3-cyanophenoxy)butyric acid benzyl ester Formula: C26H21N3O4 MolecularWeight: 439.46264

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)CC(COC2=CC=CC(=C2)C#N)NC(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C[C@H](COC2=CC=CC(=C2)C#N)NC(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C26H21N3O4/c27-15-19-9-11-22(12-10-19)26(31)29-23(18-32-24-8-4-7-21(13-24)16-28)14-25(30)33-17-20-5-2-1-3-6-20/h1-13,23H,14,17-18H2,(H,29,31)/t23-/m1/s1