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

Systemtic Name: (phenylmethyl) N-[6-oxidanylidene-6-[(3S)-3-pyrrolidin-1-ylcarbonyl-3,4-dihydro-1H-isoquinolin-2-yl]hexyl]carbamate Openeye Name: benzyl 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 (phenylmethyl) ester IUPAC Name: benzyl 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 benzyl ester Formula: C28H35N3O4 MolecularWeight: 477.5952

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2CC3=CC=CC=C3CN2C(=O)CCCCCNC(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)C(=O)[C@@H]2CC3=CC=CC=C3CN2C(=O)CCCCCNC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C28H35N3O4/c32-26(15-5-2-8-16-29-28(34)35-21-22-11-3-1-4-12-22)31-20-24-14-7-6-13-23(24)19-25(31)27(33)30-17-9-10-18-30/h1,3-4,6-7,11-14,25H,2,5,8-10,15-21H2,(H,29,34)/t25-/m0/s1