6-(3,7-dimethyloct-6-enyl)-6-(octylcarbamoyl)cyclohexa-2,4-diene-1-carboxylic acid

Systemtic Name: 6-(3,7-dimethyloct-6-enyl)-6-(octylcarbamoyl)cyclohexa-2,4-diene-1-carboxylic acid Openeye Name: 6-(3,7-dimethyloct-6-enyl)-6-(octylcarbamoyl)cyclohexa-2,4-diene-1-carboxylic acid CAS Name: 6-(3,7-dimethyloct-6-enyl)-6-[(octylamino)-oxomethyl]-1-cyclohexa-2,4-dienecarboxylic acid IUPAC Name: 6-(3,7-dimethyloct-6-enyl)-6-(octylcarbamoyl)cyclohexa-2,4-diene-1-carboxylic acid Traditional Name: 6-(3,7-dimethyloct-6-enyl)-6-(octylcarbamoyl)cyclohexa-2,4-diene-1-carboxylic acid Formula: C26H43NO3 MolecularWeight: 417.62452

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(=O)C1(C=CC=CC1C(=O)O)CCC(C)CCC=C(C)C

Isomeric SMILES

CCCCCCCCNC(=O)C1(C=CC=CC1C(=O)O)CCC(C)CCC=C(C)C

InChI

InChI=1S/C26H43NO3/c1-5-6-7-8-9-12-20-27-25(30)26(18-11-10-16-23(26)24(28)29)19-17-22(4)15-13-14-21(2)3/h10-11,14,16,18,22-23H,5-9,12-13,15,17,19-20H2,1-4H3,(H,27,30)(H,28,29)