(4-cyanophenyl)methyl 3-methyl-2-(phenylmethoxycarbonylamino)butanoate

Systemtic Name: (4-cyanophenyl)methyl 3-methyl-2-(phenylmethoxycarbonylamino)butanoate Openeye Name: (4-cyanophenyl)methyl 2-(benzyloxycarbonylamino)-3-methyl-butanoate CAS Name: 3-methyl-2-(phenylmethoxycarbonylamino)butanoic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl 3-methyl-2-(phenylmethoxycarbonylamino)butanoate Traditional Name: 2-(benzyloxycarbonylamino)-3-methyl-butyric acid (4-cyanobenzyl) ester Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=CC=C(C=C1)C#N)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)C(C(=O)OCC1=CC=C(C=C1)C#N)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C21H22N2O4/c1-15(2)19(23-21(25)27-14-17-6-4-3-5-7-17)20(24)26-13-18-10-8-16(12-22)9-11-18/h3-11,15,19H,13-14H2,1-2H3,(H,23,25)