tert-butyl 1-[2-(methylamino)-2-oxidanylidene-ethyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: tert-butyl 1-[2-(methylamino)-2-oxidanylidene-ethyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl 1-[2-(methylamino)-2-oxo-ethyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 1-[2-(methylamino)-2-oxoethyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-[2-(methylamino)-2-oxoethyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 1-[2-keto-2-(methylamino)ethyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C17H24N2O3 MolecularWeight: 304.38406

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC2=CC=CC=C2C1CC(=O)NC

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC2=CC=CC=C2C1CC(=O)NC

InChI

InChI=1S/C17H24N2O3/c1-17(2,3)22-16(21)19-10-9-12-7-5-6-8-13(12)14(19)11-15(20)18-4/h5-8,14H,9-11H2,1-4H3,(H,18,20)