2-ethanoylbenzoate; (E)-N,6,6-trimethylhept-2-en-4-yn-1-amine

Systemtic Name: 2-ethanoylbenzoate; (E)-N,6,6-trimethylhept-2-en-4-yn-1-amine Openeye Name: 2-acetylbenzoate; (E)-N,6,6-trimethylhept-2-en-4-yn-1-amine CAS Name: 2-acetylbenzoate; (E)-N,6,6-trimethyl-1-hept-2-en-4-ynamine IUPAC Name: 2-acetylbenzoate; (E)-N,6,6-trimethylhept-2-en-4-yn-1-amine Traditional Name: 2-acetylbenzoate; [(E)-6,6-dimethylhept-2-en-4-ynyl]-methyl-amine Formula: C19H24NO3- MolecularWeight: 314.39876

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=CC=C1C(=O)[O-].CC(C)(C)C#CC=CCNC

Isomeric SMILES

CC(=O)C1=CC=CC=C1C(=O)[O-].CC(C)(C)C#C/C=C/CNC

InChI

InChI=1S/C10H17N.C9H8O3/c1-10(2,3)8-6-5-7-9-11-4;1-6(10)7-4-2-3-5-8(7)9(11)12/h5,7,11H,9H2,1-4H3;2-5H,1H3,(H,11,12)/p-1/b7-5+;