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

Systemtic Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] 2-benzamidobenzoate Openeye Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl] 2-benzamidobenzoate CAS Name: 2-benzamidobenzoic 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-benzamidobenzoate Traditional Name: 2-benzamidobenzoic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl] ester Formula: C25H22N2O4 MolecularWeight: 414.45318

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)COC(=O)C3=CC=CC=C3NC(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)COC(=O)C3=CC=CC=C3NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H22N2O4/c28-23(27-15-14-18-8-4-5-11-20(18)16-27)17-31-25(30)21-12-6-7-13-22(21)26-24(29)19-9-2-1-3-10-19/h1-13H,14-17H2,(H,26,29)