O4-[(2R)-1-[(1-cyanocyclohexyl)-methyl-amino]-1-oxidanylidene-propan-2-yl] O1-methyl benzene-1,4-dicarboxylate

Systemtic Name: O4-[(2R)-1-[(1-cyanocyclohexyl)-methyl-amino]-1-oxidanylidene-propan-2-yl] O1-methyl benzene-1,4-dicarboxylate Openeye Name: O4-[(1R)-2-[(1-cyanocyclohexyl)-methyl-amino]-1-methyl-2-oxo-ethyl] O1-methyl benzene-1,4-dicarboxylate CAS Name: benzene-1,4-dicarboxylic acid O4-[(2R)-1-[(1-cyanocyclohexyl)-methylamino]-1-oxopropan-2-yl] ester O1-methyl ester IUPAC Name: 4-O-[(2R)-1-[(1-cyanocyclohexyl)-methylamino]-1-oxopropan-2-yl] 1-O-methyl benzene-1,4-dicarboxylate Traditional Name: benzene-1,4-dicarboxylic acid O4-[(1R)-2-[(1-cyanocyclohexyl)-methyl-amino]-2-keto-1-methyl-ethyl] ester O1-methyl ester Formula: C20H24N2O5 MolecularWeight: 372.41496

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O5/c1-14(17(23)22(2)20(13-21)11-5-4-6-12-20)27-19(25)16-9-7-15(8-10-16)18(24)26-3/h7-10,14H,4-6,11-12H2,1-3H3/t14-/m1/s1