[(2R)-1-[(1-cyanocyclohexyl)-methyl-amino]-1-oxidanylidene-propan-2-yl] 2-(6,7-dimethyl-1-benzofuran-3-yl)ethanoate

Systemtic Name: [(2R)-1-[(1-cyanocyclohexyl)-methyl-amino]-1-oxidanylidene-propan-2-yl] 2-(6,7-dimethyl-1-benzofuran-3-yl)ethanoate Openeye Name: [(1R)-2-[(1-cyanocyclohexyl)-methyl-amino]-1-methyl-2-oxo-ethyl] 2-(6,7-dimethylbenzofuran-3-yl)acetate CAS Name: 2-(6,7-dimethyl-3-benzofuranyl)acetic acid [(2R)-1-[(1-cyanocyclohexyl)-methylamino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[(1-cyanocyclohexyl)-methylamino]-1-oxopropan-2-yl] 2-(6,7-dimethyl-1-benzofuran-3-yl)acetate Traditional Name: 2-(6,7-dimethylbenzofuran-3-yl)acetic acid [(1R)-2-[(1-cyanocyclohexyl)-methyl-amino]-2-keto-1-methyl-ethyl] ester Formula: C23H28N2O4 MolecularWeight: 396.47942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CO2)CC(=O)OC(C)C(=O)N(C)C3(CCCCC3)C#N)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CO2)CC(=O)O[C@H](C)C(=O)N(C)C3(CCCCC3)C#N)C

InChI

InChI=1S/C23H28N2O4/c1-15-8-9-19-18(13-28-21(19)16(15)2)12-20(26)29-17(3)22(27)25(4)23(14-24)10-6-5-7-11-23/h8-9,13,17H,5-7,10-12H2,1-4H3/t17-/m1/s1