4-methyl-3-(nonadecanoylamino)benzoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC(=O)NC1=C(C=CC(=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)28-25-22-24(27(30)31)21-20-23(25)2/h20-22H,3-19H2,1-2H3,(H,28,29)(H,30,31)