methyl (1R,2S,3S,5R)-3-(3,4-dimethoxyphenyl)-5-oxidanyl-2-(phenylcarbamoyl)cyclohexane-1-carboxylate

Systemtic Name: methyl (1R,2S,3S,5R)-3-(3,4-dimethoxyphenyl)-5-oxidanyl-2-(phenylcarbamoyl)cyclohexane-1-carboxylate Openeye Name: methyl (1R,2S,3S,5R)-3-(3,4-dimethoxyphenyl)-5-hydroxy-2-(phenylcarbamoyl)cyclohexanecarboxylate CAS Name: (1R,2S,3S,5R)-2-[anilino(oxo)methyl]-3-(3,4-dimethoxyphenyl)-5-hydroxy-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl (1R,2S,3S,5R)-3-(3,4-dimethoxyphenyl)-5-hydroxy-2-(phenylcarbamoyl)cyclohexane-1-carboxylate Traditional Name: (1R,2S,3S,5R)-3-(3,4-dimethoxyphenyl)-5-hydroxy-2-(phenylcarbamoyl)cyclohexanecarboxylic acid methyl ester Formula: C23H27NO6 MolecularWeight: 413.46358

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2CC(CC(C2C(=O)NC3=CC=CC=C3)C(=O)OC)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)[C@H]2C[C@H](C[C@H]([C@H]2C(=O)NC3=CC=CC=C3)C(=O)OC)O)OC

InChI

InChI=1S/C23H27NO6/c1-28-19-10-9-14(11-20(19)29-2)17-12-16(25)13-18(23(27)30-3)21(17)22(26)24-15-7-5-4-6-8-15/h4-11,16-18,21,25H,12-13H2,1-3H3,(H,24,26)/t16-,17-,18-,21+/m1/s1