3-methyl-4-(2-methyloctadecanoylamino)benzoic acid

Systemtic Name: 3-methyl-4-(2-methyloctadecanoylamino)benzoic acid Openeye Name: 3-methyl-4-(2-methyloctadecanoylamino)benzoic acid CAS Name: 3-methyl-4-[(2-methyl-1-oxooctadecyl)amino]benzoic acid IUPAC Name: 3-methyl-4-(2-methyloctadecanoylamino)benzoic acid Traditional Name: 3-methyl-4-(2-methyloctadecanoylamino)benzoic acid Formula: C27H45NO3 MolecularWeight: 431.6511

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(C)C(=O)NC1=C(C=C(C=C1)C(=O)O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCC(C)C(=O)NC1=C(C=C(C=C1)C(=O)O)C

InChI

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