4-(heptadecanoylamino)-3-methyl-benzoic acid

Systemtic Name: 4-(heptadecanoylamino)-3-methyl-benzoic acid Openeye Name: 4-(heptadecanoylamino)-3-methyl-benzoic acid CAS Name: 3-methyl-4-(1-oxoheptadecylamino)benzoic acid IUPAC Name: 4-(heptadecanoylamino)-3-methylbenzoic acid Traditional Name: 4-(heptadecanoylamino)-3-methyl-benzoic acid Formula: C25H41NO3 MolecularWeight: 403.59794

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H41NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(27)26-23-19-18-22(25(28)29)20-21(23)2/h18-20H,3-17H2,1-2H3,(H,26,27)(H,28,29)