2-[[[(1R)-1-(1-benzofuran-2-yl)ethyl]-methyl-azaniumyl]methyl]-7-methoxycarbonyl-quinazolin-4-olate

Systemtic Name: 2-[[[(1R)-1-(1-benzofuran-2-yl)ethyl]-methyl-azaniumyl]methyl]-7-methoxycarbonyl-quinazolin-4-olate Openeye Name: 2-[[[(1R)-1-(benzofuran-2-yl)ethyl]-methyl-ammonio]methyl]-7-methoxycarbonyl-quinazolin-4-olate CAS Name: 2-[[[(1R)-1-(2-benzofuranyl)ethyl]-methylammonio]methyl]-7-methoxycarbonyl-4-quinazolinolate IUPAC Name: 2-[[[(1R)-1-(1-benzofuran-2-yl)ethyl]-methylazaniumyl]methyl]-7-methoxycarbonylquinazolin-4-olate Traditional Name: 2-[[[(1R)-1-(benzofuran-2-yl)ethyl]-methyl-ammonio]methyl]-7-carbomethoxy-quinazolin-4-olate Formula: C22H21N3O4 MolecularWeight: 391.41984

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=CC=CC=C2O1)[NH+](C)CC3=NC4=C(C=CC(=C4)C(=O)OC)C(=N3)[O-]

Isomeric SMILES

C[C@H](C1=CC2=CC=CC=C2O1)[NH+](C)CC3=NC4=C(C=CC(=C4)C(=O)OC)C(=N3)[O-]

InChI

InChI=1S/C22H21N3O4/c1-13(19-11-14-6-4-5-7-18(14)29-19)25(2)12-20-23-17-10-15(22(27)28-3)8-9-16(17)21(26)24-20/h4-11,13H,12H2,1-3H3,(H,23,24,26)/t13-/m1/s1