methyl 4-(octadecylcarbamoyl)benzoate; N-octadecylbenzamide

Systemtic Name: methyl 4-(octadecylcarbamoyl)benzoate; N-octadecylbenzamide Openeye Name: methyl 4-(octadecylcarbamoyl)benzoate; N-octadecylbenzamide CAS Name: 4-[(octadecylamino)-oxomethyl]benzoic acid methyl ester; N-octadecylbenzamide IUPAC Name: methyl 4-(octadecylcarbamoyl)benzoate; N-octadecylbenzamide Traditional Name: N-stearylbenzamide; 4-(stearylcarbamoyl)benzoic acid methyl ester Formula: C52H88N2O4 MolecularWeight: 805.26612

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)C1=CC=CC=C1.CCCCCCCCCCCCCCCCCCNC(=O)C1=CC=C(C=C1)C(=O)OC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)C1=CC=CC=C1.CCCCCCCCCCCCCCCCCCNC(=O)C1=CC=C(C=C1)C(=O)OC

InChI

InChI=1S/C27H45NO3.C25H43NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-28-26(29)24-19-21-25(22-20-24)27(30)31-2;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-26-25(27)24-21-18-17-19-22-24/h19-22H,3-18,23H2,1-2H3,(H,28,29);17-19,21-22H,2-16,20,23H2,1H3,(H,26,27)