[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] 2-(2-phenoxyethoxy)benzoate

Systemtic Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] 2-(2-phenoxyethoxy)benzoate Openeye Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl] 2-(2-phenoxyethoxy)benzoate CAS Name: 2-(2-phenoxyethoxy)benzoic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 2-(2-phenoxyethoxy)benzoate Traditional Name: 2-(2-phenoxyethoxy)benzoic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl] ester Formula: C26H25NO5 MolecularWeight: 431.4804

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)COC(=O)C3=CC=CC=C3OCCOC4=CC=CC=C4

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)COC(=O)C3=CC=CC=C3OCCOC4=CC=CC=C4

InChI

InChI=1S/C26H25NO5/c28-25(27-15-14-20-8-4-5-9-21(20)18-27)19-32-26(29)23-12-6-7-13-24(23)31-17-16-30-22-10-2-1-3-11-22/h1-13H,14-19H2