tert-butyl N-(2-oxidanyl-3,4-dihydro-2H-chromen-6-yl)carbamate; methylbenzene

Systemtic Name: tert-butyl N-(2-oxidanyl-3,4-dihydro-2H-chromen-6-yl)carbamate; methylbenzene Openeye Name: tert-butyl N-(2-hydroxychroman-6-yl)carbamate; toluene CAS Name: N-(2-hydroxy-3,4-dihydro-2H-1-benzopyran-6-yl)carbamic acid tert-butyl ester; toluene IUPAC Name: tert-butyl N-(2-hydroxy-3,4-dihydro-2H-chromen-6-yl)carbamate; toluene Traditional Name: N-(2-hydroxychroman-6-yl)carbamic acid tert-butyl ester; toluene Formula: C21H27NO4 MolecularWeight: 357.44338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1.CC(C)(C)OC(=O)NC1=CC2=C(C=C1)OC(CC2)O

Isomeric SMILES

CC1=CC=CC=C1.CC(C)(C)OC(=O)NC1=CC2=C(C=C1)OC(CC2)O

InChI

InChI=1S/C14H19NO4.C7H8/c1-14(2,3)19-13(17)15-10-5-6-11-9(8-10)4-7-12(16)18-11;1-7-5-3-2-4-6-7/h5-6,8,12,16H,4,7H2,1-3H3,(H,15,17);2-6H,1H3