ethyl 4-[2-[[1-oxidanylidene-2-(pyridin-3-ylmethyl)-3,4-dihydroisoquinolin-5-yl]oxy]ethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[[1-oxidanylidene-2-(pyridin-3-ylmethyl)-3,4-dihydroisoquinolin-5-yl]oxy]ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[[1-oxo-2-(3-pyridylmethyl)-3,4-dihydroisoquinolin-5-yl]oxy]acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[[1-oxo-2-(3-pyridinylmethyl)-3,4-dihydroisoquinolin-5-yl]oxy]ethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[[1-oxo-2-(pyridin-3-ylmethyl)-3,4-dihydroisoquinolin-5-yl]oxy]acetyl]amino]benzoate Traditional Name: 4-[[2-[[1-keto-2-(3-pyridylmethyl)-3,4-dihydroisoquinolin-5-yl]oxy]acetyl]amino]benzoic acid ethyl ester Formula: C26H25N3O5 MolecularWeight: 459.4938

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)COC2=CC=CC3=C2CCN(C3=O)CC4=CN=CC=C4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)COC2=CC=CC3=C2CCN(C3=O)CC4=CN=CC=C4

InChI

InChI=1S/C26H25N3O5/c1-2-33-26(32)19-8-10-20(11-9-19)28-24(30)17-34-23-7-3-6-22-21(23)12-14-29(25(22)31)16-18-5-4-13-27-15-18/h3-11,13,15H,2,12,14,16-17H2,1H3,(H,28,30)