tert-butyl (3S)-3-(2-methoxy-2-oxidanylidene-ethyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: tert-butyl (3S)-3-(2-methoxy-2-oxidanylidene-ethyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl (3S)-3-(2-methoxy-2-oxo-ethyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: (3S)-3-(2-methoxy-2-oxoethyl)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3S)-3-(2-methoxy-2-oxoethyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: (3S)-3-(2-keto-2-methoxy-ethyl)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C17H23NO4 MolecularWeight: 305.36882

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC2=CC=CC=C2CC1CC(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1CC2=CC=CC=C2C[C@H]1CC(=O)OC

InChI

InChI=1S/C17H23NO4/c1-17(2,3)22-16(20)18-11-13-8-6-5-7-12(13)9-14(18)10-15(19)21-4/h5-8,14H,9-11H2,1-4H3/t14-/m0/s1