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

Systemtic Name: tert-butyl 1-(2-azanyl-3,3-dimethyl-butanoyl)-3-methanoyl-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl 1-(2-amino-3,3-dimethyl-butanoyl)-3-formyl-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 1-(2-amino-3,3-dimethyl-1-oxobutyl)-3-formyl-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-(2-amino-3,3-dimethylbutanoyl)-3-formyl-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 1-(2-amino-3,3-dimethyl-butanoyl)-3-formyl-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C21H30N2O4 MolecularWeight: 374.4739

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N2O4/c1-20(2,3)18(22)17(25)16-15-10-8-7-9-13(15)11-14(12-24)23(16)19(26)27-21(4,5)6/h7-10,12,14,16,18H,11,22H2,1-6H3