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

Systemtic Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] 2-[(4-chlorophenyl)methoxy]benzoate Openeye Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl] 2-[(4-chlorophenyl)methoxy]benzoate CAS Name: 2-[(4-chlorophenyl)methoxy]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-[(4-chlorophenyl)methoxy]benzoate Traditional Name: 2-(4-chlorobenzyl)oxybenzoic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl] ester Formula: C25H22ClNO4 MolecularWeight: 435.89948

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)COC(=O)C3=CC=CC=C3OCC4=CC=C(C=C4)Cl

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)COC(=O)C3=CC=CC=C3OCC4=CC=C(C=C4)Cl

InChI

InChI=1S/C25H22ClNO4/c26-21-11-9-18(10-12-21)16-30-23-8-4-3-7-22(23)25(29)31-17-24(28)27-14-13-19-5-1-2-6-20(19)15-27/h1-12H,13-17H2