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

Systemtic Name: tert-butyl 1-(2-azanylethanoyl)-3-methanoyl-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl 1-(2-aminoacetyl)-3-formyl-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 1-(2-amino-1-oxoethyl)-3-formyl-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-(2-aminoacetyl)-3-formyl-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 3-formyl-1-glycyl-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C17H22N2O4 MolecularWeight: 318.36758

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C(CC2=CC=CC=C2C1C(=O)CN)C=O

Isomeric SMILES

CC(C)(C)OC(=O)N1C(CC2=CC=CC=C2C1C(=O)CN)C=O

InChI

InChI=1S/C17H22N2O4/c1-17(2,3)23-16(22)19-12(10-20)8-11-6-4-5-7-13(11)15(19)14(21)9-18/h4-7,10,12,15H,8-9,18H2,1-3H3