tert-butyl N-[1-(3-aminocarbonyl-3,4-dihydro-1H-isoquinolin-2-yl)-3-(2,6-dimethyl-4-oxidanyl-phenyl)-1-oxidanylidene-propan-2-yl]-N-methyl-carbamate

Systemtic Name: tert-butyl N-[1-(3-aminocarbonyl-3,4-dihydro-1H-isoquinolin-2-yl)-3-(2,6-dimethyl-4-oxidanyl-phenyl)-1-oxidanylidene-propan-2-yl]-N-methyl-carbamate Openeye Name: tert-butyl N-[2-(3-carbamoyl-3,4-dihydro-1H-isoquinolin-2-yl)-1-[(4-hydroxy-2,6-dimethyl-phenyl)methyl]-2-oxo-ethyl]-N-methyl-carbamate CAS Name: N-[1-(3-carbamoyl-3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-hydroxy-2,6-dimethylphenyl)-1-oxopropan-2-yl]-N-methylcarbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-(3-carbamoyl-3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-hydroxy-2,6-dimethylphenyl)-1-oxopropan-2-yl]-N-methylcarbamate Traditional Name: N-[2-(3-carbamoyl-3,4-dihydro-1H-isoquinolin-2-yl)-1-(4-hydroxy-2,6-dimethyl-benzyl)-2-keto-ethyl]-N-methyl-carbamic acid tert-butyl ester Formula: C27H35N3O5 MolecularWeight: 481.5839

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H35N3O5/c1-16-11-20(31)12-17(2)21(16)14-23(29(6)26(34)35-27(3,4)5)25(33)30-15-19-10-8-7-9-18(19)13-22(30)24(28)32/h7-12,22-23,31H,13-15H2,1-6H3,(H2,28,32)