3-azanyl-4-hept-1-ynyl-2,6-dimethyl-benzoic acid

Systemtic Name: 3-azanyl-4-hept-1-ynyl-2,6-dimethyl-benzoic acid Openeye Name: 3-amino-4-hept-1-ynyl-2,6-dimethyl-benzoic acid CAS Name: 3-amino-4-hept-1-ynyl-2,6-dimethylbenzoic acid IUPAC Name: 3-amino-4-hept-1-ynyl-2,6-dimethylbenzoic acid Traditional Name: 3-amino-4-hept-1-ynyl-2,6-dimethyl-benzoic acid Formula: C16H21NO2 MolecularWeight: 259.34344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC#CC1=CC(=C(C(=C1N)C)C(=O)O)C

Isomeric SMILES

CCCCCC#CC1=CC(=C(C(=C1N)C)C(=O)O)C

InChI

InChI=1S/C16H21NO2/c1-4-5-6-7-8-9-13-10-11(2)14(16(18)19)12(3)15(13)17/h10H,4-7,17H2,1-3H3,(H,18,19)