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]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]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]carbamate CAS Name: N-[1-(3-carbamoyl-3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-hydroxy-2,6-dimethylphenyl)-1-oxopropan-2-yl]carbamic 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]carbamate Traditional Name: N-[2-(3-carbamoyl-3,4-dihydro-1H-isoquinolin-2-yl)-1-(4-hydroxy-2,6-dimethyl-benzyl)-2-keto-ethyl]carbamic acid tert-butyl ester Formula: C26H33N3O5 MolecularWeight: 467.55732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H33N3O5/c1-15-10-19(30)11-16(2)20(15)13-21(28-25(33)34-26(3,4)5)24(32)29-14-18-9-7-6-8-17(18)12-22(29)23(27)31/h6-11,21-22,30H,12-14H2,1-5H3,(H2,27,31)(H,28,33)