[2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxidanylidene-ethyl] 2-[2-(phenylmethyl)phenoxy]ethanoate

Systemtic Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxidanylidene-ethyl] 2-[2-(phenylmethyl)phenoxy]ethanoate Openeye Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxo-ethyl] 2-(2-benzylphenoxy)acetate CAS Name: 2-[2-(phenylmethyl)phenoxy]acetic acid [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 2-(2-benzylphenoxy)acetate Traditional Name: 2-(2-benzylphenoxy)acetic acid [2-[(1-cyanocyclohexyl)-methyl-amino]-2-keto-ethyl] ester Formula: C25H28N2O4 MolecularWeight: 420.50082

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)COC(=O)COC1=CC=CC=C1CC2=CC=CC=C2)C3(CCCCC3)C#N

Isomeric SMILES

CN(C(=O)COC(=O)COC1=CC=CC=C1CC2=CC=CC=C2)C3(CCCCC3)C#N

InChI

InChI=1S/C25H28N2O4/c1-27(25(19-26)14-8-3-9-15-25)23(28)17-31-24(29)18-30-22-13-7-6-12-21(22)16-20-10-4-2-5-11-20/h2,4-7,10-13H,3,8-9,14-18H2,1H3