[(2R)-1-[(1-cyanocyclohexyl)-methyl-amino]-1-oxidanylidene-propan-2-yl] 2-(2-hydroxyethylamino)benzoate

Systemtic Name: [(2R)-1-[(1-cyanocyclohexyl)-methyl-amino]-1-oxidanylidene-propan-2-yl] 2-(2-hydroxyethylamino)benzoate Openeye Name: [(1R)-2-[(1-cyanocyclohexyl)-methyl-amino]-1-methyl-2-oxo-ethyl] 2-(2-hydroxyethylamino)benzoate CAS Name: 2-(2-hydroxyethylamino)benzoic acid [(2R)-1-[(1-cyanocyclohexyl)-methylamino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[(1-cyanocyclohexyl)-methylamino]-1-oxopropan-2-yl] 2-(2-hydroxyethylamino)benzoate Traditional Name: 2-(2-hydroxyethylamino)benzoic acid [(1R)-2-[(1-cyanocyclohexyl)-methyl-amino]-2-keto-1-methyl-ethyl] ester Formula: C20H27N3O4 MolecularWeight: 373.44608

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)C1(CCCCC1)C#N)OC(=O)C2=CC=CC=C2NCCO

Isomeric SMILES

C[C@H](C(=O)N(C)C1(CCCCC1)C#N)OC(=O)C2=CC=CC=C2NCCO

InChI

InChI=1S/C20H27N3O4/c1-15(18(25)23(2)20(14-21)10-6-3-7-11-20)27-19(26)16-8-4-5-9-17(16)22-12-13-24/h4-5,8-9,15,22,24H,3,6-7,10-13H2,1-2H3/t15-/m1/s1