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

Systemtic Name: tert-butyl 1-(2-azanyl-4-methyl-pentanoyl)-3-methanoyl-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl 1-(2-amino-4-methyl-pentanoyl)-3-formyl-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 1-(2-amino-4-methyl-1-oxopentyl)-3-formyl-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-(2-amino-4-methylpentanoyl)-3-formyl-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 1-(2-amino-4-methyl-pentanoyl)-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)CC(C(=O)C1C2=CC=CC=C2CC(N1C(=O)OC(C)(C)C)C=O)N

Isomeric SMILES

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

InChI

InChI=1S/C21H30N2O4/c1-13(2)10-17(22)19(25)18-16-9-7-6-8-14(16)11-15(12-24)23(18)20(26)27-21(3,4)5/h6-9,12-13,15,17-18H,10-11,22H2,1-5H3