4-(hexan-2-ylamino)-3-methyl-benzoic acid

Systemtic Name: 4-(hexan-2-ylamino)-3-methyl-benzoic acid Openeye Name: 3-methyl-4-(1-methylpentylamino)benzoic acid CAS Name: 4-(hexan-2-ylamino)-3-methylbenzoic acid IUPAC Name: 4-(hexan-2-ylamino)-3-methylbenzoic acid Traditional Name: 3-methyl-4-(1-methylpentylamino)benzoic acid Formula: C14H21NO2 MolecularWeight: 235.32204

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)NC1=C(C=C(C=C1)C(=O)O)C

Isomeric SMILES

CCCCC(C)NC1=C(C=C(C=C1)C(=O)O)C

InChI

InChI=1S/C14H21NO2/c1-4-5-6-11(3)15-13-8-7-12(14(16)17)9-10(13)2/h7-9,11,15H,4-6H2,1-3H3,(H,16,17)