[(2S)-1-[(1-cyanocyclohexyl)-methyl-amino]-1-oxidanylidene-propan-2-yl] 2-oxidanylbenzoate

Systemtic Name: [(2S)-1-[(1-cyanocyclohexyl)-methyl-amino]-1-oxidanylidene-propan-2-yl] 2-oxidanylbenzoate Openeye Name: [(1S)-2-[(1-cyanocyclohexyl)-methyl-amino]-1-methyl-2-oxo-ethyl] 2-hydroxybenzoate CAS Name: 2-hydroxybenzoic acid [(2S)-1-[(1-cyanocyclohexyl)-methylamino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[(1-cyanocyclohexyl)-methylamino]-1-oxopropan-2-yl] 2-hydroxybenzoate Traditional Name: 2-hydroxybenzoic acid [(1S)-2-[(1-cyanocyclohexyl)-methyl-amino]-2-keto-1-methyl-ethyl] ester Formula: C18H22N2O4 MolecularWeight: 330.37828

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)C1(CCCCC1)C#N)OC(=O)C2=CC=CC=C2O

Isomeric SMILES

C[C@@H](C(=O)N(C)C1(CCCCC1)C#N)OC(=O)C2=CC=CC=C2O

InChI

InChI=1S/C18H22N2O4/c1-13(24-17(23)14-8-4-5-9-15(14)21)16(22)20(2)18(12-19)10-6-3-7-11-18/h4-5,8-9,13,21H,3,6-7,10-11H2,1-2H3/t13-/m0/s1