[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] 2-oxidanylidene-3-phenyl-1-benzofuran-3-carboxylate

Systemtic Name: [(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] 2-oxidanylidene-3-phenyl-1-benzofuran-3-carboxylate Openeye Name: [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] 2-oxo-3-phenyl-benzofuran-3-carboxylate CAS Name: 2-oxo-3-phenyl-3-benzofurancarboxylic acid [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] ester IUPAC Name: [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-oxo-3-phenyl-1-benzofuran-3-carboxylate Traditional Name: 2-keto-3-phenyl-coumaran-3-carboxylic acid [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C25H28O4 MolecularWeight: 392.48742

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)C2(C3=CC=CC=C3OC2=O)C4=CC=CC=C4)C(C)C

Isomeric SMILES

C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)C2(C3=CC=CC=C3OC2=O)C4=CC=CC=C4)C(C)C

InChI

InChI=1S/C25H28O4/c1-16(2)19-14-13-17(3)15-22(19)29-24(27)25(18-9-5-4-6-10-18)20-11-7-8-12-21(20)28-23(25)26/h4-12,16-17,19,22H,13-15H2,1-3H3/t17-,19+,22-,25?/m1/s1