methyl 4-(octadecylcarbamoyl)benzoate

Systemtic Name: methyl 4-(octadecylcarbamoyl)benzoate Openeye Name: methyl 4-(octadecylcarbamoyl)benzoate CAS Name: 4-[(octadecylamino)-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-(octadecylcarbamoyl)benzoate Traditional Name: 4-(stearylcarbamoyl)benzoic acid methyl ester Formula: C27H45NO3 MolecularWeight: 431.6511

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H45NO3/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/h19-22H,3-18,23H2,1-2H3,(H,28,29)