tert-butyl 1-azanyl-1-butanoyl-3,3-dimethyl-4H-isoquinoline-2-carboxylate

Systemtic Name: tert-butyl 1-azanyl-1-butanoyl-3,3-dimethyl-4H-isoquinoline-2-carboxylate Openeye Name: tert-butyl 1-amino-1-butanoyl-3,3-dimethyl-4H-isoquinoline-2-carboxylate CAS Name: 1-amino-3,3-dimethyl-1-(1-oxobutyl)-4H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-amino-1-butanoyl-3,3-dimethyl-4H-isoquinoline-2-carboxylate Traditional Name: 1-amino-1-butyryl-3,3-dimethyl-4H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C20H30N2O3 MolecularWeight: 346.4638

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1(C2=CC=CC=C2CC(N1C(=O)OC(C)(C)C)(C)C)N

Isomeric SMILES

CCCC(=O)C1(C2=CC=CC=C2CC(N1C(=O)OC(C)(C)C)(C)C)N

InChI

InChI=1S/C20H30N2O3/c1-7-10-16(23)20(21)15-12-9-8-11-14(15)13-19(5,6)22(20)17(24)25-18(2,3)4/h8-9,11-12H,7,10,13,21H2,1-6H3