tert-butyl N-[6-oxidanylidene-6-[(3S)-3-pyrrolidin-1-ylcarbonyl-3,4-dihydro-1H-isoquinolin-2-yl]hexyl]carbamate

Systemtic Name: tert-butyl N-[6-oxidanylidene-6-[(3S)-3-pyrrolidin-1-ylcarbonyl-3,4-dihydro-1H-isoquinolin-2-yl]hexyl]carbamate Openeye Name: tert-butyl N-[6-oxo-6-[(3S)-3-(pyrrolidine-1-carbonyl)-3,4-dihydro-1H-isoquinolin-2-yl]hexyl]carbamate CAS Name: N-[6-oxo-6-[(3S)-3-[oxo(1-pyrrolidinyl)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]hexyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[6-oxo-6-[(3S)-3-(pyrrolidine-1-carbonyl)-3,4-dihydro-1H-isoquinolin-2-yl]hexyl]carbamate Traditional Name: N-[6-keto-6-[(3S)-3-(pyrrolidine-1-carbonyl)-3,4-dihydro-1H-isoquinolin-2-yl]hexyl]carbamic acid tert-butyl ester Formula: C25H37N3O4 MolecularWeight: 443.57898

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCCCCC(=O)N1CC2=CC=CC=C2CC1C(=O)N3CCCC3

Isomeric SMILES

CC(C)(C)OC(=O)NCCCCCC(=O)N1CC2=CC=CC=C2C[C@H]1C(=O)N3CCCC3

InChI

InChI=1S/C25H37N3O4/c1-25(2,3)32-24(31)26-14-8-4-5-13-22(29)28-18-20-12-7-6-11-19(20)17-21(28)23(30)27-15-9-10-16-27/h6-7,11-12,21H,4-5,8-10,13-18H2,1-3H3,(H,26,31)/t21-/m0/s1