4-[(1S)-6,7-diethoxy-3-oxidanylidene-1-phenyl-1,4-dihydroisoquinolin-2-yl]benzoate

Systemtic Name: 4-[(1S)-6,7-diethoxy-3-oxidanylidene-1-phenyl-1,4-dihydroisoquinolin-2-yl]benzoate Openeye Name: 4-[(1S)-6,7-diethoxy-3-oxo-1-phenyl-1,4-dihydroisoquinolin-2-yl]benzoate CAS Name: 4-[(1S)-6,7-diethoxy-3-oxo-1-phenyl-1,4-dihydroisoquinolin-2-yl]benzoate IUPAC Name: 4-[(1S)-6,7-diethoxy-3-oxo-1-phenyl-1,4-dihydroisoquinolin-2-yl]benzoate Traditional Name: 4-[(1S)-6,7-diethoxy-3-keto-1-phenyl-1,4-dihydroisoquinolin-2-yl]benzoate Formula: C26H24NO5- MolecularWeight: 430.47246

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(N(C(=O)CC2=C1)C3=CC=C(C=C3)C(=O)[O-])C4=CC=CC=C4)OCC

Isomeric SMILES

CCOC1=C(C=C2[C@@H](N(C(=O)CC2=C1)C3=CC=C(C=C3)C(=O)[O-])C4=CC=CC=C4)OCC

InChI

InChI=1S/C26H25NO5/c1-3-31-22-14-19-15-24(28)27(20-12-10-18(11-13-20)26(29)30)25(17-8-6-5-7-9-17)21(19)16-23(22)32-4-2/h5-14,16,25H,3-4,15H2,1-2H3,(H,29,30)/p-1/t25-/m0/s1