1,3-bis(octylcarbamoyl)cyclohex-4-ene-1,3-dicarboxylic acid

Systemtic Name: 1,3-bis(octylcarbamoyl)cyclohex-4-ene-1,3-dicarboxylic acid Openeye Name: 1,3-bis(octylcarbamoyl)cyclohex-4-ene-1,3-dicarboxylic acid CAS Name: 1,3-bis[(octylamino)-oxomethyl]cyclohex-4-ene-1,3-dicarboxylic acid IUPAC Name: 1,3-bis(octylcarbamoyl)cyclohex-4-ene-1,3-dicarboxylic acid Traditional Name: 1,3-bis(octylcarbamoyl)cyclohex-4-ene-1,3-dicarboxylic acid Formula: C26H44N2O6 MolecularWeight: 480.63736

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(=O)C1(CC=CC(C1)(C(=O)NCCCCCCCC)C(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCCNC(=O)C1(CC=CC(C1)(C(=O)NCCCCCCCC)C(=O)O)C(=O)O

InChI

InChI=1S/C26H44N2O6/c1-3-5-7-9-11-13-18-27-21(29)25(23(31)32)16-15-17-26(20-25,24(33)34)22(30)28-19-14-12-10-8-6-4-2/h15-16H,3-14,17-20H2,1-2H3,(H,27,29)(H,28,30)(H,31,32)(H,33,34)