7-methoxycarbonyl-2-[[methyl-[(4-propan-2-ylphenyl)methyl]azaniumyl]methyl]quinazolin-4-olate

Systemtic Name: 7-methoxycarbonyl-2-[[methyl-[(4-propan-2-ylphenyl)methyl]azaniumyl]methyl]quinazolin-4-olate Openeye Name: 2-[[(4-isopropylphenyl)methyl-methyl-ammonio]methyl]-7-methoxycarbonyl-quinazolin-4-olate CAS Name: 7-methoxycarbonyl-2-[[methyl-[(4-propan-2-ylphenyl)methyl]ammonio]methyl]-4-quinazolinolate IUPAC Name: 7-methoxycarbonyl-2-[[methyl-[(4-propan-2-ylphenyl)methyl]azaniumyl]methyl]quinazolin-4-olate Traditional Name: 7-carbomethoxy-2-[[(4-isopropylbenzyl)-methyl-ammonio]methyl]quinazolin-4-olate Formula: C22H25N3O3 MolecularWeight: 379.4522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O3/c1-14(2)16-7-5-15(6-8-16)12-25(3)13-20-23-19-11-17(22(27)28-4)9-10-18(19)21(26)24-20/h5-11,14H,12-13H2,1-4H3,(H,23,24,26)