ethyl (3R)-2-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: ethyl (3R)-2-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: ethyl (3R)-2-[(3,5-ditert-butyl-4-hydroxy-phenyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3R)-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl (3R)-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3R)-2-(3,5-ditert-butyl-4-hydroxy-benzyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid ethyl ester Formula: C27H37NO3 MolecularWeight: 423.58758

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC2=CC=CC=C2CN1CC3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C

Isomeric SMILES

CCOC(=O)[C@H]1CC2=CC=CC=C2CN1CC3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C

InChI

InChI=1S/C27H37NO3/c1-8-31-25(30)23-15-19-11-9-10-12-20(19)17-28(23)16-18-13-21(26(2,3)4)24(29)22(14-18)27(5,6)7/h9-14,23,29H,8,15-17H2,1-7H3/t23-/m1/s1