tert-butyl N-[(1S)-1-[(3S)-8-methoxy-1-oxidanylidene-3,4-dihydroisochromen-3-yl]-3-methyl-butyl]carbamate

Systemtic Name: tert-butyl N-[(1S)-1-[(3S)-8-methoxy-1-oxidanylidene-3,4-dihydroisochromen-3-yl]-3-methyl-butyl]carbamate Openeye Name: tert-butyl N-[(1S)-1-[(3S)-8-methoxy-1-oxo-isochroman-3-yl]-3-methyl-butyl]carbamate CAS Name: N-[(1S)-1-[(3S)-8-methoxy-1-oxo-3,4-dihydro-1H-2-benzopyran-3-yl]-3-methylbutyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(1S)-1-[(3S)-8-methoxy-1-oxo-3,4-dihydroisochromen-3-yl]-3-methylbutyl]carbamate Traditional Name: N-[(1S)-1-[(3S)-1-keto-8-methoxy-isochroman-3-yl]-3-methyl-butyl]carbamic acid tert-butyl ester Formula: C20H29NO5 MolecularWeight: 363.44796

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1CC2=C(C(=CC=C2)OC)C(=O)O1)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)C[C@@H]([C@@H]1CC2=C(C(=CC=C2)OC)C(=O)O1)NC(=O)OC(C)(C)C

InChI

InChI=1S/C20H29NO5/c1-12(2)10-14(21-19(23)26-20(3,4)5)16-11-13-8-7-9-15(24-6)17(13)18(22)25-16/h7-9,12,14,16H,10-11H2,1-6H3,(H,21,23)/t14-,16-/m0/s1