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

Systemtic Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] 4-(phenylcarbonyl)benzoate Openeye Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl] 4-benzoylbenzoate CAS Name: 4-benzoylbenzoic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 4-benzoylbenzoate Traditional Name: 4-benzoylbenzoic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl] ester Formula: C25H21NO4 MolecularWeight: 399.43854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H21NO4/c27-23(26-15-14-18-6-4-5-9-22(18)16-26)17-30-25(29)21-12-10-20(11-13-21)24(28)19-7-2-1-3-8-19/h1-13H,14-17H2