4-[(octadecanoylamino)methyl]cyclohexane-1-carboxylic acid

Systemtic Name: 4-[(octadecanoylamino)methyl]cyclohexane-1-carboxylic acid Openeye Name: 4-[(octadecanoylamino)methyl]cyclohexanecarboxylic acid CAS Name: 4-[(1-oxooctadecylamino)methyl]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[(octadecanoylamino)methyl]cyclohexane-1-carboxylic acid Traditional Name: 4-(stearamidomethyl)cyclohexanecarboxylic acid Formula: C26H49NO3 MolecularWeight: 423.67216

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)NCC1CCC(CC1)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)NCC1CCC(CC1)C(=O)O

InChI

InChI=1S/C26H49NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-25(28)27-22-23-18-20-24(21-19-23)26(29)30/h23-24H,2-22H2,1H3,(H,27,28)(H,29,30)