4-[[4-[2-(diethylazaniumyl)ethoxycarbonyl]phenyl]carbamoyl]benzene-1,3-dicarboxylate

Systemtic Name: 4-[[4-[2-(diethylazaniumyl)ethoxycarbonyl]phenyl]carbamoyl]benzene-1,3-dicarboxylate Openeye Name: 4-[[4-[2-(diethylammonio)ethoxycarbonyl]phenyl]carbamoyl]benzene-1,3-dicarboxylate CAS Name: 4-[[4-[2-(diethylammonio)ethoxy-oxomethyl]anilino]-oxomethyl]benzene-1,3-dicarboxylate IUPAC Name: 4-[[4-[2-(diethylazaniumyl)ethoxycarbonyl]phenyl]carbamoyl]benzene-1,3-dicarboxylate Traditional Name: 4-[[4-[2-(diethylammonio)ethoxycarbonyl]phenyl]carbamoyl]isophthalate Formula: C22H23N2O7- MolecularWeight: 427.42722

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(C=C(C=C2)C(=O)[O-])C(=O)[O-]

Isomeric SMILES

CC[NH+](CC)CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(C=C(C=C2)C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C22H24N2O7/c1-3-24(4-2)11-12-31-22(30)14-5-8-16(9-6-14)23-19(25)17-10-7-15(20(26)27)13-18(17)21(28)29/h5-10,13H,3-4,11-12H2,1-2H3,(H,23,25)(H,26,27)(H,28,29)/p-1