tert-butyl N-[1-(3-aminocarbonyl-3,4-dihydro-1H-isoquinolin-2-yl)-3-(2,6-dimethyl-4-phenylmethoxy-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-phenylmethoxy-phenyl)-1-oxidanylidene-propan-2-yl]-N-methyl-carbamate Openeye Name: tert-butyl N-[1-[(4-benzyloxy-2,6-dimethyl-phenyl)methyl]-2-(3-carbamoyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]-N-methyl-carbamate CAS Name: N-[1-(3-carbamoyl-3,4-dihydro-1H-isoquinolin-2-yl)-3-(2,6-dimethyl-4-phenylmethoxyphenyl)-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-(2,6-dimethyl-4-phenylmethoxyphenyl)-1-oxopropan-2-yl]-N-methylcarbamate Traditional Name: N-[1-(4-benzoxy-2,6-dimethyl-benzyl)-2-(3-carbamoyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]-N-methyl-carbamic acid tert-butyl ester Formula: C34H41N3O5 MolecularWeight: 571.70644

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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)OCC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=CC(=C1CC(C(=O)N2CC3=CC=CC=C3CC2C(=O)N)N(C)C(=O)OC(C)(C)C)C)OCC4=CC=CC=C4

InChI

InChI=1S/C34H41N3O5/c1-22-16-27(41-21-24-12-8-7-9-13-24)17-23(2)28(22)19-30(36(6)33(40)42-34(3,4)5)32(39)37-20-26-15-11-10-14-25(26)18-29(37)31(35)38/h7-17,29-30H,18-21H2,1-6H3,(H2,35,38)