4-[[4-[2-(diethylazaniumyl)ethoxycarbonyl]phenyl]amino]quinazoline-7-carboxylate

Systemtic Name: 4-[[4-[2-(diethylazaniumyl)ethoxycarbonyl]phenyl]amino]quinazoline-7-carboxylate Openeye Name: 4-[4-[2-(diethylammonio)ethoxycarbonyl]anilino]quinazoline-7-carboxylate CAS Name: 4-[4-[2-(diethylammonio)ethoxy-oxomethyl]anilino]-7-quinazolinecarboxylate IUPAC Name: 4-[4-[2-(diethylazaniumyl)ethoxycarbonyl]anilino]quinazoline-7-carboxylate Traditional Name: 4-[4-[2-(diethylammonio)ethoxycarbonyl]anilino]quinazoline-7-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=C2C=CC(=C3)C(=O)[O-]

Isomeric SMILES

CC[NH+](CC)CCOC(=O)C1=CC=C(C=C1)NC2=NC=NC3=C2C=CC(=C3)C(=O)[O-]

InChI

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