methyl (1R,2R,4S,5R)-1-benzamido-2-(3,4-dimethoxyphenyl)-4,5-dimethyl-cyclohexane-1-carboxylate

Systemtic Name: methyl (1R,2R,4S,5R)-1-benzamido-2-(3,4-dimethoxyphenyl)-4,5-dimethyl-cyclohexane-1-carboxylate Openeye Name: methyl (1R,2R,4S,5R)-1-benzamido-2-(3,4-dimethoxyphenyl)-4,5-dimethyl-cyclohexanecarboxylate CAS Name: (1R,2R,4S,5R)-1-benzamido-2-(3,4-dimethoxyphenyl)-4,5-dimethyl-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl (1R,2R,4S,5R)-1-benzamido-2-(3,4-dimethoxyphenyl)-4,5-dimethylcyclohexane-1-carboxylate Traditional Name: (1R,2R,4S,5R)-1-benzamido-2-(3,4-dimethoxyphenyl)-4,5-dimethyl-cyclohexanecarboxylic acid methyl ester Formula: C25H31NO5 MolecularWeight: 425.51734

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C(CC1C)(C(=O)OC)NC(=O)C2=CC=CC=C2)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

C[C@H]1C[C@@H]([C@](C[C@H]1C)(C(=O)OC)NC(=O)C2=CC=CC=C2)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C25H31NO5/c1-16-13-20(19-11-12-21(29-3)22(14-19)30-4)25(15-17(16)2,24(28)31-5)26-23(27)18-9-7-6-8-10-18/h6-12,14,16-17,20H,13,15H2,1-5H3,(H,26,27)/t16-,17+,20+,25+/m0/s1