tert-butyl 2-[1-(2-azanyl-3,3-dimethyl-butanoyl)-3-methanoyl-2-methyl-1,4-dihydroisoquinolin-3-yl]-4-phenylmethoxy-pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 2-[1-(2-azanyl-3,3-dimethyl-butanoyl)-3-methanoyl-2-methyl-1,4-dihydroisoquinolin-3-yl]-4-phenylmethoxy-pyrrolidine-1-carboxylate Openeye Name: tert-butyl 2-[1-(2-amino-3,3-dimethyl-butanoyl)-3-formyl-2-methyl-1,4-dihydroisoquinolin-3-yl]-4-benzyloxy-pyrrolidine-1-carboxylate CAS Name: 2-[1-(2-amino-3,3-dimethyl-1-oxobutyl)-3-formyl-2-methyl-1,4-dihydroisoquinolin-3-yl]-4-phenylmethoxy-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[1-(2-amino-3,3-dimethylbutanoyl)-3-formyl-2-methyl-1,4-dihydroisoquinolin-3-yl]-4-phenylmethoxypyrrolidine-1-carboxylate Traditional Name: 2-[1-(2-amino-3,3-dimethyl-butanoyl)-3-formyl-2-methyl-1,4-dihydroisoquinolin-3-yl]-4-benzoxy-pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C33H45N3O5 MolecularWeight: 563.7275

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C(=O)C1C2=CC=CC=C2CC(N1C)(C=O)C3CC(CN3C(=O)OC(C)(C)C)OCC4=CC=CC=C4)N

Isomeric SMILES

CC(C)(C)C(C(=O)C1C2=CC=CC=C2CC(N1C)(C=O)C3CC(CN3C(=O)OC(C)(C)C)OCC4=CC=CC=C4)N

InChI

InChI=1S/C33H45N3O5/c1-31(2,3)29(34)28(38)27-25-16-12-11-15-23(25)18-33(21-37,35(27)7)26-17-24(40-20-22-13-9-8-10-14-22)19-36(26)30(39)41-32(4,5)6/h8-16,21,24,26-27,29H,17-20,34H2,1-7H3