4-[[4-[2-(diethylazaniumyl)ethoxycarbonyl]phenyl]amino]quinazoline-5-carboxylate

Systemtic Name: 4-[[4-[2-(diethylazaniumyl)ethoxycarbonyl]phenyl]amino]quinazoline-5-carboxylate Openeye Name: 4-[4-[2-(diethylammonio)ethoxycarbonyl]anilino]quinazoline-5-carboxylate CAS Name: 4-[4-[2-(diethylammonio)ethoxy-oxomethyl]anilino]-5-quinazolinecarboxylate IUPAC Name: 4-[4-[2-(diethylazaniumyl)ethoxycarbonyl]anilino]quinazoline-5-carboxylate Traditional Name: 4-[4-[2-(diethylammonio)ethoxycarbonyl]anilino]quinazoline-5-carboxylate Formula: C22H24N4O4 MolecularWeight: 408.45036

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCOC(=O)C1=CC=C(C=C1)NC2=NC=NC3=CC=CC(=C32)C(=O)[O-]

Isomeric SMILES

CC[NH+](CC)CCOC(=O)C1=CC=C(C=C1)NC2=NC=NC3=CC=CC(=C32)C(=O)[O-]

InChI

InChI=1S/C22H24N4O4/c1-3-26(4-2)12-13-30-22(29)15-8-10-16(11-9-15)25-20-19-17(21(27)28)6-5-7-18(19)23-14-24-20/h5-11,14H,3-4,12-13H2,1-2H3,(H,27,28)(H,23,24,25)