N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-ethynyl-aniline

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-ethynyl-aniline Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-ethynyl-aniline CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-ethynylaniline IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-ethynylaniline Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-(3-ethynylphenyl)amine Formula: C17H15NO2 MolecularWeight: 265.3065

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CC=C1)NCC2=CC3=C(C=C2)OCCO3

Isomeric SMILES

C#CC1=CC(=CC=C1)NCC2=CC3=C(C=C2)OCCO3

InChI

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