[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] 2-(1-methylindol-3-yl)-2-oxidanyl-ethanoate

Systemtic Name: [(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] 2-(1-methylindol-3-yl)-2-oxidanyl-ethanoate Openeye Name: [(1R,2S,5R)-5-methyl-2-(1-methyl-1-phenyl-ethyl)cyclohexyl] 2-hydroxy-2-(1-methylindol-3-yl)acetate CAS Name: 2-hydroxy-2-(1-methyl-3-indolyl)acetic acid [(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] ester IUPAC Name: [(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] 2-hydroxy-2-(1-methylindol-3-yl)acetate Traditional Name: 2-hydroxy-2-(1-methylindol-3-yl)acetic acid [(1R,2S,5R)-2-cumyl-5-methyl-cyclohexyl] ester Formula: C27H33NO3 MolecularWeight: 419.55582

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)C(C2=CN(C3=CC=CC=C32)C)O)C(C)(C)C4=CC=CC=C4

Isomeric SMILES

C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)C(C2=CN(C3=CC=CC=C32)C)O)C(C)(C)C4=CC=CC=C4

InChI

InChI=1S/C27H33NO3/c1-18-14-15-22(27(2,3)19-10-6-5-7-11-19)24(16-18)31-26(30)25(29)21-17-28(4)23-13-9-8-12-20(21)23/h5-13,17-18,22,24-25,29H,14-16H2,1-4H3/t18-,22-,24-,25?/m1/s1