tert-butyl 8-ethynyl-1-methanoyl-5,6,7-trimethoxy-1H-isoquinoline-2-carboxylate

Systemtic Name: tert-butyl 8-ethynyl-1-methanoyl-5,6,7-trimethoxy-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl 8-ethynyl-1-formyl-5,6,7-trimethoxy-1H-isoquinoline-2-carboxylate CAS Name: 8-ethynyl-1-formyl-5,6,7-trimethoxy-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 8-ethynyl-1-formyl-5,6,7-trimethoxy-1H-isoquinoline-2-carboxylate Traditional Name: 8-ethynyl-1-formyl-5,6,7-trimethoxy-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C20H23NO6 MolecularWeight: 373.39972

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C=CC2=C(C(=C(C(=C2C1C=O)C#C)OC)OC)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1C=CC2=C(C(=C(C(=C2C1C=O)C#C)OC)OC)OC

InChI

InChI=1S/C20H23NO6/c1-8-12-15-13(17(25-6)18(26-7)16(12)24-5)9-10-21(14(15)11-22)19(23)27-20(2,3)4/h1,9-11,14H,2-7H3