3-(octan-2-ylamino)benzoic acid

Systemtic Name: 3-(octan-2-ylamino)benzoic acid Openeye Name: 3-(1-methylheptylamino)benzoic acid CAS Name: 3-(octan-2-ylamino)benzoic acid IUPAC Name: 3-(octan-2-ylamino)benzoic acid Traditional Name: 3-(1-methylheptylamino)benzoic acid Formula: C15H23NO2 MolecularWeight: 249.34862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H23NO2/c1-3-4-5-6-8-12(2)16-14-10-7-9-13(11-14)15(17)18/h7,9-12,16H,3-6,8H2,1-2H3,(H,17,18)