3-methyl-4-(nonadecanoylamino)benzoic acid

Systemtic Name: 3-methyl-4-(nonadecanoylamino)benzoic acid Openeye Name: 3-methyl-4-(nonadecanoylamino)benzoic acid CAS Name: 3-methyl-4-(1-oxononadecylamino)benzoic acid IUPAC Name: 3-methyl-4-(nonadecanoylamino)benzoic acid Traditional Name: 3-methyl-4-(nonadecanoylamino)benzoic acid Formula: C27H45NO3 MolecularWeight: 431.6511

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC(=O)NC1=C(C=C(C=C1)C(=O)O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC(=O)NC1=C(C=C(C=C1)C(=O)O)C

InChI

InChI=1S/C27H45NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-26(29)28-25-21-20-24(27(30)31)22-23(25)2/h20-22H,3-19H2,1-2H3,(H,28,29)(H,30,31)