2-[5,6-dimethyl-6-(2-phenylethynyl)cyclohexa-2,4-dien-1-yl]ethanamine

Systemtic Name: 2-[5,6-dimethyl-6-(2-phenylethynyl)cyclohexa-2,4-dien-1-yl]ethanamine Openeye Name: 2-[5,6-dimethyl-6-(2-phenylethynyl)cyclohexa-2,4-dien-1-yl]ethanamine CAS Name: 2-[5,6-dimethyl-6-(2-phenylethynyl)-1-cyclohexa-2,4-dienyl]ethanamine IUPAC Name: 2-[5,6-dimethyl-6-(2-phenylethynyl)cyclohexa-2,4-dien-1-yl]ethanamine Traditional Name: 2-[5,6-dimethyl-6-(2-phenylethynyl)cyclohexa-2,4-dien-1-yl]ethylamine Formula: C18H21N MolecularWeight: 251.36604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(C1(C)C#CC2=CC=CC=C2)CCN

Isomeric SMILES

CC1=CC=CC(C1(C)C#CC2=CC=CC=C2)CCN

InChI

InChI=1S/C18H21N/c1-15-7-6-10-17(12-14-19)18(15,2)13-11-16-8-4-3-5-9-16/h3-10,17H,12,14,19H2,1-2H3