hexyl 4-[2-[[2-(3-ethoxy-3-oxidanylidene-propyl)-3,4-dihydro-1H-isoquinolin-7-yl]amino]-2-oxidanylidene-ethoxy]piperidine-1-carboxylate

Systemtic Name: hexyl 4-[2-[[2-(3-ethoxy-3-oxidanylidene-propyl)-3,4-dihydro-1H-isoquinolin-7-yl]amino]-2-oxidanylidene-ethoxy]piperidine-1-carboxylate Openeye Name: hexyl 4-[2-[[2-(3-ethoxy-3-oxo-propyl)-3,4-dihydro-1H-isoquinolin-7-yl]amino]-2-oxo-ethoxy]piperidine-1-carboxylate CAS Name: 4-[2-[[2-(3-ethoxy-3-oxopropyl)-3,4-dihydro-1H-isoquinolin-7-yl]amino]-2-oxoethoxy]-1-piperidinecarboxylic acid hexyl ester IUPAC Name: hexyl 4-[2-[[2-(3-ethoxy-3-oxopropyl)-3,4-dihydro-1H-isoquinolin-7-yl]amino]-2-oxoethoxy]piperidine-1-carboxylate Traditional Name: 4-[2-[[2-(3-ethoxy-3-keto-propyl)-3,4-dihydro-1H-isoquinolin-7-yl]amino]-2-keto-ethoxy]piperidine-1-carboxylic acid hexyl ester Formula: C28H43N3O6 MolecularWeight: 517.65752

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)N1CCC(CC1)OCC(=O)NC2=CC3=C(CCN(C3)CCC(=O)OCC)C=C2

Isomeric SMILES

CCCCCCOC(=O)N1CCC(CC1)OCC(=O)NC2=CC3=C(CCN(C3)CCC(=O)OCC)C=C2

InChI

InChI=1S/C28H43N3O6/c1-3-5-6-7-18-36-28(34)31-16-11-25(12-17-31)37-21-26(32)29-24-9-8-22-10-14-30(20-23(22)19-24)15-13-27(33)35-4-2/h8-9,19,25H,3-7,10-18,20-21H2,1-2H3,(H,29,32)