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

Systemtic Name: tert-butyl 1-(2-azanyl-3-methyl-pentanoyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl 1-(2-amino-3-methyl-pentanoyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 1-(2-amino-3-methyl-1-oxopentyl)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-(2-amino-3-methylpentanoyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 1-(2-amino-3-methyl-pentanoyl)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C20H30N2O3 MolecularWeight: 346.4638

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)C1C2=CC=CC=C2CCN1C(=O)OC(C)(C)C)N

Isomeric SMILES

CCC(C)C(C(=O)C1C2=CC=CC=C2CCN1C(=O)OC(C)(C)C)N

InChI

InChI=1S/C20H30N2O3/c1-6-13(2)16(21)18(23)17-15-10-8-7-9-14(15)11-12-22(17)19(24)25-20(3,4)5/h7-10,13,16-17H,6,11-12,21H2,1-5H3