methyl 3-[2-[3-[2-(9-oxidanylideneacridin-10-yl)ethanoylamino]phenyl]ethynyl]benzoate

Systemtic Name: methyl 3-[2-[3-[2-(9-oxidanylideneacridin-10-yl)ethanoylamino]phenyl]ethynyl]benzoate Openeye Name: methyl 3-[2-[3-[[2-(9-oxoacridin-10-yl)acetyl]amino]phenyl]ethynyl]benzoate CAS Name: 3-[2-[3-[[1-oxo-2-(9-oxo-10-acridinyl)ethyl]amino]phenyl]ethynyl]benzoic acid methyl ester IUPAC Name: methyl 3-[2-[3-[[2-(9-oxoacridin-10-yl)acetyl]amino]phenyl]ethynyl]benzoate Traditional Name: 3-[2-[3-[[2-(9-ketoacridin-10-yl)acetyl]amino]phenyl]ethynyl]benzoic acid methyl ester Formula: C31H22N2O4 MolecularWeight: 486.51738

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC(=C1)C#CC2=CC(=CC=C2)NC(=O)CN3C4=CC=CC=C4C(=O)C5=CC=CC=C53

Isomeric SMILES

COC(=O)C1=CC=CC(=C1)C#CC2=CC(=CC=C2)NC(=O)CN3C4=CC=CC=C4C(=O)C5=CC=CC=C53

InChI

InChI=1S/C31H22N2O4/c1-37-31(36)23-10-6-8-21(18-23)16-17-22-9-7-11-24(19-22)32-29(34)20-33-27-14-4-2-12-25(27)30(35)26-13-3-5-15-28(26)33/h2-15,18-19H,20H2,1H3,(H,32,34)