2-[[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-ethyl-azaniumyl]methyl]-7-methoxycarbonyl-quinazolin-4-olate

Systemtic Name: 2-[[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-ethyl-azaniumyl]methyl]-7-methoxycarbonyl-quinazolin-4-olate Openeye Name: 2-[[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-ethyl-ammonio]methyl]-7-methoxycarbonyl-quinazolin-4-olate CAS Name: 2-[[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-ethylammonio]methyl]-7-methoxycarbonyl-4-quinazolinolate IUPAC Name: 2-[[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-ethylazaniumyl]methyl]-7-methoxycarbonylquinazolin-4-olate Traditional Name: 7-carbomethoxy-2-[[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-ethyl-ammonio]methyl]quinazolin-4-olate Formula: C22H23N3O5 MolecularWeight: 409.43512

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1COC2=CC=CC=C2O1)CC3=NC4=C(C=CC(=C4)C(=O)OC)C(=N3)[O-]

Isomeric SMILES

CC[NH+](C[C@H]1COC2=CC=CC=C2O1)CC3=NC4=C(C=CC(=C4)C(=O)OC)C(=N3)[O-]

InChI

InChI=1S/C22H23N3O5/c1-3-25(11-15-13-29-18-6-4-5-7-19(18)30-15)12-20-23-17-10-14(22(27)28-2)8-9-16(17)21(26)24-20/h4-10,15H,3,11-13H2,1-2H3,(H,23,24,26)/t15-/m0/s1