(3S)-3-[(1S)-1-azido-3-methyl-butyl]-8-(methoxymethoxy)-3,4-dihydroisochromen-1-one

Systemtic Name: (3S)-3-[(1S)-1-azido-3-methyl-butyl]-8-(methoxymethoxy)-3,4-dihydroisochromen-1-one Openeye Name: (3S)-3-[(1S)-1-azido-3-methyl-butyl]-8-(methoxymethoxy)isochroman-1-one CAS Name: (3S)-3-[(1S)-1-azido-3-methylbutyl]-8-(methoxymethoxy)-3,4-dihydro-1H-2-benzopyran-1-one IUPAC Name: (3S)-3-[(1S)-1-azido-3-methylbutyl]-8-(methoxymethoxy)-3,4-dihydroisochromen-1-one Traditional Name: (3S)-3-[(1S)-1-azido-3-methyl-butyl]-8-(methoxymethoxy)isochroman-1-one Formula: C16H21N3O4 MolecularWeight: 319.35564

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1CC2=C(C(=CC=C2)OCOC)C(=O)O1)N=[N+]=[N-]

Isomeric SMILES

CC(C)C[C@@H]([C@@H]1CC2=C(C(=CC=C2)OCOC)C(=O)O1)N=[N+]=[N-]

InChI

InChI=1S/C16H21N3O4/c1-10(2)7-12(18-19-17)14-8-11-5-4-6-13(22-9-21-3)15(11)16(20)23-14/h4-6,10,12,14H,7-9H2,1-3H3/t12-,14-/m0/s1