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

Systemtic Name: (phenylmethyl) N-[(1S)-3-methyl-1-[(3R)-1-oxidanylidene-3,4-dihydroisochromen-3-yl]butyl]carbamate Openeye Name: benzyl N-[(1S)-3-methyl-1-[(3R)-1-oxoisochroman-3-yl]butyl]carbamate CAS Name: N-[(1S)-3-methyl-1-[(3R)-1-oxo-3,4-dihydro-1H-2-benzopyran-3-yl]butyl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(1S)-3-methyl-1-[(3R)-1-oxo-3,4-dihydroisochromen-3-yl]butyl]carbamate Traditional Name: N-[(1S)-1-[(3R)-1-ketoisochroman-3-yl]-3-methyl-butyl]carbamic acid benzyl ester Formula: C22H25NO4 MolecularWeight: 367.4382

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1CC2=CC=CC=C2C(=O)O1)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)C[C@@H]([C@H]1CC2=CC=CC=C2C(=O)O1)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C22H25NO4/c1-15(2)12-19(23-22(25)26-14-16-8-4-3-5-9-16)20-13-17-10-6-7-11-18(17)21(24)27-20/h3-11,15,19-20H,12-14H2,1-2H3,(H,23,25)/t19-,20+/m0/s1