tert-butyl N-[(2S,3S)-2-(1,3-benzodioxol-5-yl)-7-methoxy-3-methyl-2,3-dihydro-1-benzofuran-5-yl]carbamate

Systemtic Name: tert-butyl N-[(2S,3S)-2-(1,3-benzodioxol-5-yl)-7-methoxy-3-methyl-2,3-dihydro-1-benzofuran-5-yl]carbamate Openeye Name: tert-butyl N-[(2S,3S)-2-(1,3-benzodioxol-5-yl)-7-methoxy-3-methyl-2,3-dihydrobenzofuran-5-yl]carbamate CAS Name: N-[(2S,3S)-2-(1,3-benzodioxol-5-yl)-7-methoxy-3-methyl-2,3-dihydrobenzofuran-5-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S,3S)-2-(1,3-benzodioxol-5-yl)-7-methoxy-3-methyl-2,3-dihydro-1-benzofuran-5-yl]carbamate Traditional Name: N-[(2S,3S)-2-(1,3-benzodioxol-5-yl)-7-methoxy-3-methyl-coumaran-5-yl]carbamic acid tert-butyl ester Formula: C22H25NO6 MolecularWeight: 399.437

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(OC2=C(C=C(C=C12)NC(=O)OC(C)(C)C)OC)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C[C@@H]1[C@H](OC2=C(C=C(C=C12)NC(=O)OC(C)(C)C)OC)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H25NO6/c1-12-15-9-14(23-21(24)29-22(2,3)4)10-18(25-5)20(15)28-19(12)13-6-7-16-17(8-13)27-11-26-16/h6-10,12,19H,11H2,1-5H3,(H,23,24)/t12-,19-/m0/s1