tert-butyl 1-(2-methyl-1-oxidanyl-propyl)-1H-isoquinoline-2-carboxylate

Systemtic Name: tert-butyl 1-(2-methyl-1-oxidanyl-propyl)-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl 1-(1-hydroxy-2-methyl-propyl)-1H-isoquinoline-2-carboxylate CAS Name: 1-(1-hydroxy-2-methylpropyl)-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-(1-hydroxy-2-methylpropyl)-1H-isoquinoline-2-carboxylate Traditional Name: 1-(1-hydroxy-2-methyl-propyl)-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C18H25NO3 MolecularWeight: 303.396

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1C2=CC=CC=C2C=CN1C(=O)OC(C)(C)C)O

Isomeric SMILES

CC(C)C(C1C2=CC=CC=C2C=CN1C(=O)OC(C)(C)C)O

InChI

InChI=1S/C18H25NO3/c1-12(2)16(20)15-14-9-7-6-8-13(14)10-11-19(15)17(21)22-18(3,4)5/h6-12,15-16,20H,1-5H3