2-[[cyclopropyl-[(2-fluorophenyl)methyl]azaniumyl]methyl]-7-methoxycarbonyl-quinazolin-4-olate

Systemtic Name: 2-[[cyclopropyl-[(2-fluorophenyl)methyl]azaniumyl]methyl]-7-methoxycarbonyl-quinazolin-4-olate Openeye Name: 2-[[cyclopropyl-[(2-fluorophenyl)methyl]ammonio]methyl]-7-methoxycarbonyl-quinazolin-4-olate CAS Name: 2-[[cyclopropyl-[(2-fluorophenyl)methyl]ammonio]methyl]-7-methoxycarbonyl-4-quinazolinolate IUPAC Name: 2-[[cyclopropyl-[(2-fluorophenyl)methyl]azaniumyl]methyl]-7-methoxycarbonylquinazolin-4-olate Traditional Name: 7-carbomethoxy-2-[[cyclopropyl-(2-fluorobenzyl)ammonio]methyl]quinazolin-4-olate Formula: C21H20FN3O3 MolecularWeight: 381.400203

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=NC(=N2)C[NH+](CC3=CC=CC=C3F)C4CC4)[O-]

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=NC(=N2)C[NH+](CC3=CC=CC=C3F)C4CC4)[O-]

InChI

InChI=1S/C21H20FN3O3/c1-28-21(27)13-6-9-16-18(10-13)23-19(24-20(16)26)12-25(15-7-8-15)11-14-4-2-3-5-17(14)22/h2-6,9-10,15H,7-8,11-12H2,1H3,(H,23,24,26)