tert-butyl (3S)-3-[[2-oxidanylidene-2-(propylamino)ethyl]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: tert-butyl (3S)-3-[[2-oxidanylidene-2-(propylamino)ethyl]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl (3S)-3-[[2-oxo-2-(propylamino)ethyl]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: (3S)-3-[oxo-[[2-oxo-2-(propylamino)ethyl]amino]methyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3S)-3-[[2-oxo-2-(propylamino)ethyl]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: (3S)-3-[[2-keto-2-(propylamino)ethyl]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C20H29N3O4 MolecularWeight: 375.46196

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)CNC(=O)C1CC2=CC=CC=C2CN1C(=O)OC(C)(C)C

Isomeric SMILES

CCCNC(=O)CNC(=O)[C@@H]1CC2=CC=CC=C2CN1C(=O)OC(C)(C)C

InChI

InChI=1S/C20H29N3O4/c1-5-10-21-17(24)12-22-18(25)16-11-14-8-6-7-9-15(14)13-23(16)19(26)27-20(2,3)4/h6-9,16H,5,10-13H2,1-4H3,(H,21,24)(H,22,25)/t16-/m0/s1