tert-butyl 3-cyclohexyl-1-[(4-methoxyphenyl)-oxidanyl-methyl]-1H-isoquinoline-2-carboxylate

Systemtic Name: tert-butyl 3-cyclohexyl-1-[(4-methoxyphenyl)-oxidanyl-methyl]-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl 3-cyclohexyl-1-[hydroxy-(4-methoxyphenyl)methyl]-1H-isoquinoline-2-carboxylate CAS Name: 3-cyclohexyl-1-[hydroxy-(4-methoxyphenyl)methyl]-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-cyclohexyl-1-[hydroxy-(4-methoxyphenyl)methyl]-1H-isoquinoline-2-carboxylate Traditional Name: 3-cyclohexyl-1-[hydroxy-(4-methoxyphenyl)methyl]-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C28H35NO4 MolecularWeight: 449.5818

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C(C2=CC=CC=C2C=C1C3CCCCC3)C(C4=CC=C(C=C4)OC)O

Isomeric SMILES

CC(C)(C)OC(=O)N1C(C2=CC=CC=C2C=C1C3CCCCC3)C(C4=CC=C(C=C4)OC)O

InChI

InChI=1S/C28H35NO4/c1-28(2,3)33-27(31)29-24(19-10-6-5-7-11-19)18-21-12-8-9-13-23(21)25(29)26(30)20-14-16-22(32-4)17-15-20/h8-9,12-19,25-26,30H,5-7,10-11H2,1-4H3