[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] 14-methoxyhexahelicene-2-carboxylate

Systemtic Name: [(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] 14-methoxyhexahelicene-2-carboxylate Openeye Name: [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] 14-methoxyhexahelicene-2-carboxylate CAS Name: 14-methoxy-2-hexahelicenecarboxylic acid [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] ester IUPAC Name: [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 14-methoxyhexahelicene-2-carboxylate Traditional Name: 14-methoxyhexahelicene-2-carboxylic acid [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C38H36O3 MolecularWeight: 540.69064

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)C2=CC3=C(C=CC4=C3C5=C(C=C4)C=CC6=C5C7=C(C=C6)C=C(C=C7)OC)C=C2)C(C)C

Isomeric SMILES

C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)C2=CC3=C(C=CC4=C3C5=C(C=C4)C=CC6=C5C7=C(C=C6)C=C(C=C7)OC)C=C2)C(C)C

InChI

InChI=1S/C38H36O3/c1-22(2)31-17-5-23(3)19-34(31)41-38(39)29-15-7-24-6-8-26-10-12-27-11-9-25-13-14-28-20-30(40-4)16-18-32(28)35(25)37(27)36(26)33(24)21-29/h6-16,18,20-23,31,34H,5,17,19H2,1-4H3/t23-,31+,34-/m1/s1