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

Systemtic Name: 1-(3-methylphenyl)ethanone; (E)-N,6,6-trimethylhept-2-en-4-yn-1-amine Openeye Name: 1-(m-tolyl)ethanone; (E)-N,6,6-trimethylhept-2-en-4-yn-1-amine CAS Name: 1-(3-methylphenyl)ethanone; (E)-N,6,6-trimethyl-1-hept-2-en-4-ynamine IUPAC Name: 1-(3-methylphenyl)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-(m-tolyl)ethanone Formula: C19H27NO MolecularWeight: 285.42378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)C.CC(C)(C)C#CC=CCNC

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)C.CC(C)(C)C#C/C=C/CNC

InChI

InChI=1S/C10H17N.C9H10O/c1-10(2,3)8-6-5-7-9-11-4;1-7-4-3-5-9(6-7)8(2)10/h5,7,11H,9H2,1-4H3;3-6H,1-2H3/b7-5+;