[(1S,2R,5R)-5-methyl-2-propan-2-yl-cyclohexyl] 2-methyl-4-oxidanyl-5-phenyl-1H-pyrrole-3-carboxylate

Systemtic Name: [(1S,2R,5R)-5-methyl-2-propan-2-yl-cyclohexyl] 2-methyl-4-oxidanyl-5-phenyl-1H-pyrrole-3-carboxylate Openeye Name: [(1S,2R,5R)-2-isopropyl-5-methyl-cyclohexyl] 4-hydroxy-2-methyl-5-phenyl-1H-pyrrole-3-carboxylate CAS Name: 4-hydroxy-2-methyl-5-phenyl-1H-pyrrole-3-carboxylic acid [(1S,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl] ester IUPAC Name: [(1S,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl] 4-hydroxy-2-methyl-5-phenyl-1H-pyrrole-3-carboxylate Traditional Name: 4-hydroxy-2-methyl-5-phenyl-1H-pyrrole-3-carboxylic acid [(1S,2R,5R)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C22H29NO3 MolecularWeight: 355.47056

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)C2=C(NC(=C2O)C3=CC=CC=C3)C)C(C)C

Isomeric SMILES

C[C@@H]1CC[C@@H]([C@H](C1)OC(=O)C2=C(NC(=C2O)C3=CC=CC=C3)C)C(C)C

InChI

InChI=1S/C22H29NO3/c1-13(2)17-11-10-14(3)12-18(17)26-22(25)19-15(4)23-20(21(19)24)16-8-6-5-7-9-16/h5-9,13-14,17-18,23-24H,10-12H2,1-4H3/t14-,17-,18+/m1/s1