N-tert-butyl-1-[6-[2-(2-methoxyphenyl)ethynyl]-1,3-benzodioxol-5-yl]methanimine

Systemtic Name: N-tert-butyl-1-[6-[2-(2-methoxyphenyl)ethynyl]-1,3-benzodioxol-5-yl]methanimine Openeye Name: N-tert-butyl-1-[6-[2-(2-methoxyphenyl)ethynyl]-1,3-benzodioxol-5-yl]methanimine CAS Name: N-tert-butyl-1-[6-[2-(2-methoxyphenyl)ethynyl]-1,3-benzodioxol-5-yl]methanimine IUPAC Name: N-tert-butyl-1-[6-[2-(2-methoxyphenyl)ethynyl]-1,3-benzodioxol-5-yl]methanimine Traditional Name: tert-butyl-[[6-[2-(2-methoxyphenyl)ethynyl]-1,3-benzodioxol-5-yl]methylene]amine Formula: C21H21NO3 MolecularWeight: 335.39634

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N=CC1=CC2=C(C=C1C#CC3=CC=CC=C3OC)OCO2

Isomeric SMILES

CC(C)(C)N=CC1=CC2=C(C=C1C#CC3=CC=CC=C3OC)OCO2

InChI

InChI=1S/C21H21NO3/c1-21(2,3)22-13-17-12-20-19(24-14-25-20)11-16(17)10-9-15-7-5-6-8-18(15)23-4/h5-8,11-13H,14H2,1-4H3