2-(4-carbamimidoylphenyl)carbonyl-4-[4-(2-ethoxy-2-oxidanylidene-ethoxy)phenyl]-4-oxidanylidene-butanoate methanoate

Systemtic Name: 2-(4-carbamimidoylphenyl)carbonyl-4-[4-(2-ethoxy-2-oxidanylidene-ethoxy)phenyl]-4-oxidanylidene-butanoate methanoate Openeye Name: 2-(4-carbamimidoylbenzoyl)-4-[4-(2-ethoxy-2-oxo-ethoxy)phenyl]-4-oxo-butanoate formate CAS Name: 2-[(4-carbamimidoylphenyl)-oxomethyl]-4-[4-(2-ethoxy-2-oxoethoxy)phenyl]-4-oxobutanoate formate IUPAC Name: 2-(4-carbamimidoylbenzoyl)-4-[4-(2-ethoxy-2-oxoethoxy)phenyl]-4-oxobutanoate formate Traditional Name: 2-(4-amidinobenzoyl)-4-[4-(2-ethoxy-2-keto-ethoxy)phenyl]-4-keto-butyrate formate Formula: C23H22N2O9-2 MolecularWeight: 470.42878

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)COC1=CC=C(C=C1)C(=O)CC(C(=O)C2=CC=C(C=C2)C(=N)N)C(=O)[O-].C(=O)[O-]

Isomeric SMILES

CCOC(=O)COC1=CC=C(C=C1)C(=O)CC(C(=O)C2=CC=C(C=C2)C(=N)N)C(=O)[O-].C(=O)[O-]

InChI

InChI=1S/C22H22N2O7.CH2O2/c1-2-30-19(26)12-31-16-9-7-13(8-10-16)18(25)11-17(22(28)29)20(27)14-3-5-15(6-4-14)21(23)24;2-1-3/h3-10,17H,2,11-12H2,1H3,(H3,23,24)(H,28,29);1H,(H,2,3)/p-2