tert-butyl 2-[3-(2,6-dimethyl-4-oxidanyl-phenyl)-2-methyl-propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: tert-butyl 2-[3-(2,6-dimethyl-4-oxidanyl-phenyl)-2-methyl-propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: tert-butyl 2-[3-(4-hydroxy-2,6-dimethyl-phenyl)-2-methyl-propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: 2-[3-(4-hydroxy-2,6-dimethylphenyl)-2-methyl-1-oxopropyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[3-(4-hydroxy-2,6-dimethylphenyl)-2-methylpropanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: 2-[3-(4-hydroxy-2,6-dimethyl-phenyl)-2-methyl-propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid tert-butyl ester Formula: C26H33NO4 MolecularWeight: 423.54452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1CC(C)C(=O)N2CC3=CC=CC=C3CC2C(=O)OC(C)(C)C)C)O

Isomeric SMILES

CC1=CC(=CC(=C1CC(C)C(=O)N2CC3=CC=CC=C3CC2C(=O)OC(C)(C)C)C)O

InChI

InChI=1S/C26H33NO4/c1-16-11-21(28)12-17(2)22(16)13-18(3)24(29)27-15-20-10-8-7-9-19(20)14-23(27)25(30)31-26(4,5)6/h7-12,18,23,28H,13-15H2,1-6H3