dimethyl (1S,2R,6R)-6-methyl-4-[(4-methylphenyl)amino]-6-oxidanyl-2-pyridin-3-yl-cyclohex-3-ene-1,3-dicarboxylate

Systemtic Name: dimethyl (1S,2R,6R)-6-methyl-4-[(4-methylphenyl)amino]-6-oxidanyl-2-pyridin-3-yl-cyclohex-3-ene-1,3-dicarboxylate Openeye Name: dimethyl (1S,2R,6R)-6-hydroxy-6-methyl-4-(4-methylanilino)-2-(3-pyridyl)cyclohex-3-ene-1,3-dicarboxylate CAS Name: (1S,2R,6R)-6-hydroxy-6-methyl-4-(4-methylanilino)-2-(3-pyridinyl)cyclohex-3-ene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl (1S,2R,6R)-6-hydroxy-6-methyl-4-(4-methylanilino)-2-pyridin-3-ylcyclohex-3-ene-1,3-dicarboxylate Traditional Name: (1S,2R,6R)-6-hydroxy-6-methyl-4-(p-toluidino)-2-(3-pyridyl)cyclohex-3-ene-1,3-dicarboxylic acid dimethyl ester Formula: C23H26N2O5 MolecularWeight: 410.46294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=C(C(C(C(C2)(C)O)C(=O)OC)C3=CN=CC=C3)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)NC2=C([C@H]([C@@H]([C@](C2)(C)O)C(=O)OC)C3=CN=CC=C3)C(=O)OC

InChI

InChI=1S/C23H26N2O5/c1-14-7-9-16(10-8-14)25-17-12-23(2,28)20(22(27)30-4)18(19(17)21(26)29-3)15-6-5-11-24-13-15/h5-11,13,18,20,25,28H,12H2,1-4H3/t18-,20-,23-/m1/s1