N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-ethynyl-aniline

Systemtic Name: N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-ethynyl-aniline Openeye Name: N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-ethynyl-aniline CAS Name: N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-ethynylaniline IUPAC Name: N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-ethynylaniline Traditional Name: 1-(1,3-benzodioxol-5-yl)ethyl-(3-ethynylphenyl)amine Formula: C17H15NO2 MolecularWeight: 265.3065

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)OCO2)NC3=CC=CC(=C3)C#C

Isomeric SMILES

CC(C1=CC2=C(C=C1)OCO2)NC3=CC=CC(=C3)C#C

InChI

InChI=1S/C17H15NO2/c1-3-13-5-4-6-15(9-13)18-12(2)14-7-8-16-17(10-14)20-11-19-16/h1,4-10,12,18H,11H2,2H3