methyl 3-(hydroxymethyl)-4-(octadecylcarbamoyl)benzoate

Systemtic Name: methyl 3-(hydroxymethyl)-4-(octadecylcarbamoyl)benzoate Openeye Name: methyl 3-(hydroxymethyl)-4-(octadecylcarbamoyl)benzoate CAS Name: 3-(hydroxymethyl)-4-[(octadecylamino)-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 3-(hydroxymethyl)-4-(octadecylcarbamoyl)benzoate Traditional Name: 3-methylol-4-(stearylcarbamoyl)benzoic acid methyl ester Formula: C28H47NO4 MolecularWeight: 461.67708

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)C1=C(C=C(C=C1)C(=O)OC)CO

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)C1=C(C=C(C=C1)C(=O)OC)CO

InChI

InChI=1S/C28H47NO4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-29-27(31)26-20-19-24(28(32)33-2)22-25(26)23-30/h19-20,22,30H,3-18,21,23H2,1-2H3,(H,29,31)