tert-butyl 3-(hydroxymethyl)-7-oxidanyl-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: tert-butyl 3-(hydroxymethyl)-7-oxidanyl-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl 7-hydroxy-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 7-hydroxy-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 7-hydroxy-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 7-hydroxy-3-methylol-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C15H21NO4 MolecularWeight: 279.33154

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC2=C(CC1CO)C=CC(=C2)O

Isomeric SMILES

CC(C)(C)OC(=O)N1CC2=C(CC1CO)C=CC(=C2)O

InChI

InChI=1S/C15H21NO4/c1-15(2,3)20-14(19)16-8-11-7-13(18)5-4-10(11)6-12(16)9-17/h4-5,7,12,17-18H,6,8-9H2,1-3H3