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

Systemtic Name: tert-butyl N-[2-(1,3-benzodioxol-5-yl)-6-ethynyl-phenyl]carbamate Openeye Name: tert-butyl N-[2-(1,3-benzodioxol-5-yl)-6-ethynyl-phenyl]carbamate CAS Name: N-[2-(1,3-benzodioxol-5-yl)-6-ethynylphenyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[2-(1,3-benzodioxol-5-yl)-6-ethynylphenyl]carbamate Traditional Name: N-[2-(1,3-benzodioxol-5-yl)-6-ethynyl-phenyl]carbamic acid tert-butyl ester Formula: C20H19NO4 MolecularWeight: 337.36916

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=C(C=CC=C1C2=CC3=C(C=C2)OCO3)C#C

Isomeric SMILES

CC(C)(C)OC(=O)NC1=C(C=CC=C1C2=CC3=C(C=C2)OCO3)C#C

InChI

InChI=1S/C20H19NO4/c1-5-13-7-6-8-15(18(13)21-19(22)25-20(2,3)4)14-9-10-16-17(11-14)24-12-23-16/h1,6-11H,12H2,2-4H3,(H,21,22)