tert-butyl 6-ethoxy-3-(1-oxidanylidene-6-phenylmethoxy-3,4-dihydroisoquinolin-2-yl)hexanoate

Systemtic Name: tert-butyl 6-ethoxy-3-(1-oxidanylidene-6-phenylmethoxy-3,4-dihydroisoquinolin-2-yl)hexanoate Openeye Name: tert-butyl 3-(6-benzyloxy-1-oxo-3,4-dihydroisoquinolin-2-yl)-6-ethoxy-hexanoate CAS Name: 6-ethoxy-3-(1-oxo-6-phenylmethoxy-3,4-dihydroisoquinolin-2-yl)hexanoic acid tert-butyl ester IUPAC Name: tert-butyl 6-ethoxy-3-(1-oxo-6-phenylmethoxy-3,4-dihydroisoquinolin-2-yl)hexanoate Traditional Name: 3-(6-benzoxy-1-keto-3,4-dihydroisoquinolin-2-yl)-6-ethoxy-hexanoic acid tert-butyl ester Formula: C28H37NO5 MolecularWeight: 467.59708

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCC(CC(=O)OC(C)(C)C)N1CCC2=C(C1=O)C=CC(=C2)OCC3=CC=CC=C3

Isomeric SMILES

CCOCCCC(CC(=O)OC(C)(C)C)N1CCC2=C(C1=O)C=CC(=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C28H37NO5/c1-5-32-17-9-12-23(19-26(30)34-28(2,3)4)29-16-15-22-18-24(13-14-25(22)27(29)31)33-20-21-10-7-6-8-11-21/h6-8,10-11,13-14,18,23H,5,9,12,15-17,19-20H2,1-4H3