2-[[ethyl-(phenylmethyl)azaniumyl]methyl]-7-methoxycarbonyl-quinazolin-4-olate

Systemtic Name: 2-[[ethyl-(phenylmethyl)azaniumyl]methyl]-7-methoxycarbonyl-quinazolin-4-olate Openeye Name: 2-[[benzyl(ethyl)ammonio]methyl]-7-methoxycarbonyl-quinazolin-4-olate CAS Name: 2-[[ethyl-(phenylmethyl)ammonio]methyl]-7-methoxycarbonyl-4-quinazolinolate IUPAC Name: 2-[[benzyl(ethyl)azaniumyl]methyl]-7-methoxycarbonylquinazolin-4-olate Traditional Name: 2-[[benzyl(ethyl)ammonio]methyl]-7-carbomethoxy-quinazolin-4-olate Formula: C20H21N3O3 MolecularWeight: 351.39904

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=CC=C1)CC2=NC3=C(C=CC(=C3)C(=O)OC)C(=N2)[O-]

Isomeric SMILES

CC[NH+](CC1=CC=CC=C1)CC2=NC3=C(C=CC(=C3)C(=O)OC)C(=N2)[O-]

InChI

InChI=1S/C20H21N3O3/c1-3-23(12-14-7-5-4-6-8-14)13-18-21-17-11-15(20(25)26-2)9-10-16(17)19(24)22-18/h4-11H,3,12-13H2,1-2H3,(H,21,22,24)