3-methyl-2-(octanoylamino)benzoic acid

Systemtic Name: 3-methyl-2-(octanoylamino)benzoic acid Openeye Name: 3-methyl-2-(octanoylamino)benzoic acid CAS Name: 3-methyl-2-(1-oxooctylamino)benzoic acid IUPAC Name: 3-methyl-2-(octanoylamino)benzoic acid Traditional Name: 2-(caprylylamino)-3-methyl-benzoic acid Formula: C16H23NO3 MolecularWeight: 277.35872

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NC1=C(C=CC=C1C)C(=O)O

Isomeric SMILES

CCCCCCCC(=O)NC1=C(C=CC=C1C)C(=O)O

InChI

InChI=1S/C16H23NO3/c1-3-4-5-6-7-11-14(18)17-15-12(2)9-8-10-13(15)16(19)20/h8-10H,3-7,11H2,1-2H3,(H,17,18)(H,19,20)