2-[[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)azaniumyl]methyl]-7-methoxycarbonyl-quinazolin-4-olate

Systemtic Name: 2-[[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)azaniumyl]methyl]-7-methoxycarbonyl-quinazolin-4-olate Openeye Name: 2-[[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)ammonio]methyl]-7-methoxycarbonyl-quinazolin-4-olate CAS Name: 2-[[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)ammonio]methyl]-7-methoxycarbonyl-4-quinazolinolate IUPAC Name: 2-[[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)azaniumyl]methyl]-7-methoxycarbonylquinazolin-4-olate Traditional Name: 7-carbomethoxy-2-[[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)ammonio]methyl]quinazolin-4-olate Formula: C21H21N3O5 MolecularWeight: 395.40854

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC2=C(C=C1)OCCO2)CC3=NC4=C(C=CC(=C4)C(=O)OC)C(=N3)[O-]

Isomeric SMILES

C[NH+](CC1=CC2=C(C=C1)OCCO2)CC3=NC4=C(C=CC(=C4)C(=O)OC)C(=N3)[O-]

InChI

InChI=1S/C21H21N3O5/c1-24(11-13-3-6-17-18(9-13)29-8-7-28-17)12-19-22-16-10-14(21(26)27-2)4-5-15(16)20(25)23-19/h3-6,9-10H,7-8,11-12H2,1-2H3,(H,22,23,25)