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

Systemtic Name: (phenylmethyl) N-[(1S)-3-methyl-1-[(3S)-8-oxidanyl-1-oxidanylidene-3,4-dihydroisochromen-3-yl]butyl]carbamate Openeye Name: benzyl N-[(1S)-1-[(3S)-8-hydroxy-1-oxo-isochroman-3-yl]-3-methyl-butyl]carbamate CAS Name: N-[(1S)-1-[(3S)-8-hydroxy-1-oxo-3,4-dihydro-1H-2-benzopyran-3-yl]-3-methylbutyl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(1S)-1-[(3S)-8-hydroxy-1-oxo-3,4-dihydroisochromen-3-yl]-3-methylbutyl]carbamate Traditional Name: N-[(1S)-1-[(3S)-8-hydroxy-1-keto-isochroman-3-yl]-3-methyl-butyl]carbamic acid benzyl ester Formula: C22H25NO5 MolecularWeight: 383.4376

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1CC2=C(C(=CC=C2)O)C(=O)O1)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)C[C@@H]([C@@H]1CC2=C(C(=CC=C2)O)C(=O)O1)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C22H25NO5/c1-14(2)11-17(23-22(26)27-13-15-7-4-3-5-8-15)19-12-16-9-6-10-18(24)20(16)21(25)28-19/h3-10,14,17,19,24H,11-13H2,1-2H3,(H,23,26)/t17-,19-/m0/s1