[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] 2-oxidanylidenechromene-3-carboxylate

Systemtic Name: [(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] 2-oxidanylidenechromene-3-carboxylate Openeye Name: [(1R,2S,5R)-5-methyl-2-(1-methyl-1-phenyl-ethyl)cyclohexyl] 2-oxochromene-3-carboxylate CAS Name: 2-oxo-1-benzopyran-3-carboxylic 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-oxochromene-3-carboxylate Traditional Name: 2-ketochromene-3-carboxylic acid [(1R,2S,5R)-2-cumyl-5-methyl-cyclohexyl] ester Formula: C26H28O4 MolecularWeight: 404.49812

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)C2=CC3=CC=CC=C3OC2=O)C(C)(C)C4=CC=CC=C4

Isomeric SMILES

C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)C2=CC3=CC=CC=C3OC2=O)C(C)(C)C4=CC=CC=C4

InChI

InChI=1S/C26H28O4/c1-17-13-14-21(26(2,3)19-10-5-4-6-11-19)23(15-17)30-25(28)20-16-18-9-7-8-12-22(18)29-24(20)27/h4-12,16-17,21,23H,13-15H2,1-3H3/t17-,21-,23-/m1/s1