tert-butyl 6-oxidanyl-1-(phenylmethoxymethyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: tert-butyl 6-oxidanyl-1-(phenylmethoxymethyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl 1-(benzyloxymethyl)-6-hydroxy-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 6-hydroxy-1-(phenylmethoxymethyl)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 6-hydroxy-1-(phenylmethoxymethyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 1-(benzoxymethyl)-6-hydroxy-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C22H27NO4 MolecularWeight: 369.45408

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC2=C(C1COCC3=CC=CC=C3)C=CC(=C2)O

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC2=C(C1COCC3=CC=CC=C3)C=CC(=C2)O

InChI

InChI=1S/C22H27NO4/c1-22(2,3)27-21(25)23-12-11-17-13-18(24)9-10-19(17)20(23)15-26-14-16-7-5-4-6-8-16/h4-10,13,20,24H,11-12,14-15H2,1-3H3