dimethyl 5-[(2R)-1-[(1-cyanocyclohexyl)-methyl-amino]-1-oxidanylidene-propan-2-yl]oxybenzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[(2R)-1-[(1-cyanocyclohexyl)-methyl-amino]-1-oxidanylidene-propan-2-yl]oxybenzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[(1R)-2-[(1-cyanocyclohexyl)-methyl-amino]-1-methyl-2-oxo-ethoxy]benzene-1,3-dicarboxylate CAS Name: 5-[(2R)-1-[(1-cyanocyclohexyl)-methylamino]-1-oxopropan-2-yl]oxybenzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[(2R)-1-[(1-cyanocyclohexyl)-methylamino]-1-oxopropan-2-yl]oxybenzene-1,3-dicarboxylate Traditional Name: 5-[(1R)-2-[(1-cyanocyclohexyl)-methyl-amino]-2-keto-1-methyl-ethoxy]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C21H26N2O6 MolecularWeight: 402.44094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O6/c1-14(18(24)23(2)21(13-22)8-6-5-7-9-21)29-17-11-15(19(25)27-3)10-16(12-17)20(26)28-4/h10-12,14H,5-9H2,1-4H3/t14-/m1/s1