tert-butyl 1-(2-azanylpropanoyl)-3-methanoyl-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: tert-butyl 1-(2-azanylpropanoyl)-3-methanoyl-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl 1-(2-aminopropanoyl)-3-formyl-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 1-(2-amino-1-oxopropyl)-3-formyl-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-(2-aminopropanoyl)-3-formyl-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 1-alanyl-3-formyl-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C18H24N2O4 MolecularWeight: 332.39416

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N2O4/c1-11(19)16(22)15-14-8-6-5-7-12(14)9-13(10-21)20(15)17(23)24-18(2,3)4/h5-8,10-11,13,15H,9,19H2,1-4H3