(1-cyano-3-phenyl-propyl) ethanoate; (phenylmethyl) N-(phenylmethyl)carbamate

Systemtic Name: (1-cyano-3-phenyl-propyl) ethanoate; (phenylmethyl) N-(phenylmethyl)carbamate Openeye Name: benzyl N-benzylcarbamate; (1-cyano-3-phenyl-propyl) acetate CAS Name: acetic acid (1-cyano-3-phenylpropyl) ester; N-(phenylmethyl)carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-benzylcarbamate; (1-cyano-3-phenylpropyl) acetate Traditional Name: acetic acid (1-cyano-3-phenyl-propyl) ester; N-benzylcarbamic acid benzyl ester Formula: C27H28N2O4 MolecularWeight: 444.52222

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(CCC1=CC=CC=C1)C#N.C1=CC=C(C=C1)CNC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(=O)OC(CCC1=CC=CC=C1)C#N.C1=CC=C(C=C1)CNC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C15H15NO2.C12H13NO2/c17-15(16-11-13-7-3-1-4-8-13)18-12-14-9-5-2-6-10-14;1-10(14)15-12(9-13)8-7-11-5-3-2-4-6-11/h1-10H,11-12H2,(H,16,17);2-6,12H,7-8H2,1H3