1-(3-methoxyphenyl)ethanone; (E)-N,6,6-trimethylhept-2-en-4-yn-1-amine

Systemtic Name: 1-(3-methoxyphenyl)ethanone; (E)-N,6,6-trimethylhept-2-en-4-yn-1-amine Openeye Name: 1-(3-methoxyphenyl)ethanone; (E)-N,6,6-trimethylhept-2-en-4-yn-1-amine CAS Name: 1-(3-methoxyphenyl)ethanone; (E)-N,6,6-trimethyl-1-hept-2-en-4-ynamine IUPAC Name: 1-(3-methoxyphenyl)ethanone; (E)-N,6,6-trimethylhept-2-en-4-yn-1-amine Traditional Name: [(E)-6,6-dimethylhept-2-en-4-ynyl]-methyl-amine; 1-(3-methoxyphenyl)ethanone Formula: C19H27NO2 MolecularWeight: 301.42318

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)OC.CC(C)(C)C#CC=CCNC

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)OC.CC(C)(C)C#C/C=C/CNC

InChI

InChI=1S/C10H17N.C9H10O2/c1-10(2,3)8-6-5-7-9-11-4;1-7(10)8-4-3-5-9(6-8)11-2/h5,7,11H,9H2,1-4H3;3-6H,1-2H3/b7-5+;