methyl 4-[(2R)-1-[(1-cyanocyclohexyl)-methyl-amino]-1-oxidanylidene-propan-2-yl]oxy-3-methoxy-benzoate

Systemtic Name: methyl 4-[(2R)-1-[(1-cyanocyclohexyl)-methyl-amino]-1-oxidanylidene-propan-2-yl]oxy-3-methoxy-benzoate Openeye Name: methyl 4-[(1R)-2-[(1-cyanocyclohexyl)-methyl-amino]-1-methyl-2-oxo-ethoxy]-3-methoxy-benzoate CAS Name: 4-[(2R)-1-[(1-cyanocyclohexyl)-methylamino]-1-oxopropan-2-yl]oxy-3-methoxybenzoic acid methyl ester IUPAC Name: methyl 4-[(2R)-1-[(1-cyanocyclohexyl)-methylamino]-1-oxopropan-2-yl]oxy-3-methoxybenzoate Traditional Name: 4-[(1R)-2-[(1-cyanocyclohexyl)-methyl-amino]-2-keto-1-methyl-ethoxy]-3-methoxy-benzoic acid methyl ester Formula: C20H26N2O5 MolecularWeight: 374.43084

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)C1(CCCCC1)C#N)OC2=C(C=C(C=C2)C(=O)OC)OC

Isomeric SMILES

C[C@H](C(=O)N(C)C1(CCCCC1)C#N)OC2=C(C=C(C=C2)C(=O)OC)OC

InChI

InChI=1S/C20H26N2O5/c1-14(18(23)22(2)20(13-21)10-6-5-7-11-20)27-16-9-8-15(19(24)26-4)12-17(16)25-3/h8-9,12,14H,5-7,10-11H2,1-4H3/t14-/m1/s1