tert-butyl 1-(2-azanyl-3-methyl-butanoyl)-3-methanoyl-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: tert-butyl 1-(2-azanyl-3-methyl-butanoyl)-3-methanoyl-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl 1-(2-amino-3-methyl-butanoyl)-3-formyl-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 1-(2-amino-3-methyl-1-oxobutyl)-3-formyl-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-(2-amino-3-methylbutanoyl)-3-formyl-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 1-(2-amino-3-methyl-butanoyl)-3-formyl-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C20H28N2O4 MolecularWeight: 360.44732

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)C1C2=CC=CC=C2CC(N1C(=O)OC(C)(C)C)C=O)N

Isomeric SMILES

CC(C)C(C(=O)C1C2=CC=CC=C2CC(N1C(=O)OC(C)(C)C)C=O)N

InChI

InChI=1S/C20H28N2O4/c1-12(2)16(21)18(24)17-15-9-7-6-8-13(15)10-14(11-23)22(17)19(25)26-20(3,4)5/h6-9,11-12,14,16-17H,10,21H2,1-5H3