3-azanyl-4-hept-1-ynyl-2,6-dimethyl-benzoate

Systemtic Name: 3-azanyl-4-hept-1-ynyl-2,6-dimethyl-benzoate Openeye Name: 3-amino-4-hept-1-ynyl-2,6-dimethyl-benzoate CAS Name: 3-amino-4-hept-1-ynyl-2,6-dimethylbenzoate IUPAC Name: 3-amino-4-hept-1-ynyl-2,6-dimethylbenzoate Traditional Name: 3-amino-4-hept-1-ynyl-2,6-dimethyl-benzoate Formula: C16H20NO2- MolecularWeight: 258.3355

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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)/p-1