2-methyl-3-(octan-2-ylamino)benzoic acid

Systemtic Name: 2-methyl-3-(octan-2-ylamino)benzoic acid Openeye Name: 2-methyl-3-(1-methylheptylamino)benzoic acid CAS Name: 2-methyl-3-(octan-2-ylamino)benzoic acid IUPAC Name: 2-methyl-3-(octan-2-ylamino)benzoic acid Traditional Name: 2-methyl-3-(1-methylheptylamino)benzoic acid Formula: C16H25NO2 MolecularWeight: 263.3752

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25NO2/c1-4-5-6-7-9-12(2)17-15-11-8-10-14(13(15)3)16(18)19/h8,10-12,17H,4-7,9H2,1-3H3,(H,18,19)