6-(1-adamantylmethylcarbamoyl)-2,5-diphenyl-cyclohex-3-ene-1-carboxylic acid

Systemtic Name: 6-(1-adamantylmethylcarbamoyl)-2,5-diphenyl-cyclohex-3-ene-1-carboxylic acid Openeye Name: 6-(1-adamantylmethylcarbamoyl)-2,5-diphenyl-cyclohex-3-ene-1-carboxylic acid CAS Name: 6-[(1-adamantylmethylamino)-oxomethyl]-2,5-diphenyl-1-cyclohex-3-enecarboxylic acid IUPAC Name: 6-(1-adamantylmethylcarbamoyl)-2,5-diphenylcyclohex-3-ene-1-carboxylic acid Traditional Name: 6-(1-adamantylmethylcarbamoyl)-2,5-diphenyl-cyclohex-3-ene-1-carboxylic acid Formula: C31H35NO3 MolecularWeight: 469.6145

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CNC(=O)C4C(C=CC(C4C(=O)O)C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CNC(=O)C4C(C=CC(C4C(=O)O)C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C31H35NO3/c33-29(32-19-31-16-20-13-21(17-31)15-22(14-20)18-31)27-25(23-7-3-1-4-8-23)11-12-26(28(27)30(34)35)24-9-5-2-6-10-24/h1-12,20-22,25-28H,13-19H2,(H,32,33)(H,34,35)