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

Systemtic Name: 4-methyl-3-(octan-2-ylamino)benzoic acid Openeye Name: 4-methyl-3-(1-methylheptylamino)benzoic acid CAS Name: 4-methyl-3-(octan-2-ylamino)benzoic acid IUPAC Name: 4-methyl-3-(octan-2-ylamino)benzoic acid Traditional Name: 4-methyl-3-(1-methylheptylamino)benzoic acid Formula: C16H25NO2 MolecularWeight: 263.3752

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25NO2/c1-4-5-6-7-8-13(3)17-15-11-14(16(18)19)10-9-12(15)2/h9-11,13,17H,4-8H2,1-3H3,(H,18,19)