[(1R)-1-cyano-2-[(1R)-2-[(1R)-1-phenylethyl]imino-1-phenylmethoxy-cyclohexyl]ethyl] ethanoate

Systemtic Name: [(1R)-1-cyano-2-[(1R)-2-[(1R)-1-phenylethyl]imino-1-phenylmethoxy-cyclohexyl]ethyl] ethanoate Openeye Name: [(1R)-2-[(1R)-1-benzyloxy-2-[(1R)-1-phenylethyl]imino-cyclohexyl]-1-cyano-ethyl] acetate CAS Name: acetic acid [(1R)-1-cyano-2-[(1R)-2-[(1R)-1-phenylethyl]imino-1-phenylmethoxycyclohexyl]ethyl] ester IUPAC Name: [(1R)-1-cyano-2-[(1R)-2-[(1R)-1-phenylethyl]imino-1-phenylmethoxycyclohexyl]ethyl] acetate Traditional Name: acetic acid [(1R)-2-[(1R)-1-benzoxy-2-[(1R)-1-phenylethyl]imino-cyclohexyl]-1-cyano-ethyl] ester Formula: C26H30N2O3 MolecularWeight: 418.528

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N=C2CCCCC2(CC(C#N)OC(=O)C)OCC3=CC=CC=C3

Isomeric SMILES

C[C@H](C1=CC=CC=C1)N=C2CCCC[C@]2(C[C@H](C#N)OC(=O)C)OCC3=CC=CC=C3

InChI

InChI=1S/C26H30N2O3/c1-20(23-13-7-4-8-14-23)28-25-15-9-10-16-26(25,17-24(18-27)31-21(2)29)30-19-22-11-5-3-6-12-22/h3-8,11-14,20,24H,9-10,15-17,19H2,1-2H3/t20-,24-,26-/m1/s1