methyl 2-[4-(4-carbamimidoylphenyl)phenyl]-5-(3-methoxy-3-oxidanylidene-propyl)furan-3-carboxylate

Systemtic Name: methyl 2-[4-(4-carbamimidoylphenyl)phenyl]-5-(3-methoxy-3-oxidanylidene-propyl)furan-3-carboxylate Openeye Name: methyl 2-[4-(4-carbamimidoylphenyl)phenyl]-5-(3-methoxy-3-oxo-propyl)furan-3-carboxylate CAS Name: 2-[4-(4-carbamimidoylphenyl)phenyl]-5-(3-methoxy-3-oxopropyl)-3-furancarboxylic acid methyl ester IUPAC Name: methyl 2-[4-(4-carbamimidoylphenyl)phenyl]-5-(3-methoxy-3-oxopropyl)furan-3-carboxylate Traditional Name: 2-[4-(4-amidinophenyl)phenyl]-5-(3-keto-3-methoxy-propyl)furan-3-carboxylic acid methyl ester Formula: C23H22N2O5 MolecularWeight: 406.43118

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=CC(=C(O1)C2=CC=C(C=C2)C3=CC=C(C=C3)C(=N)N)C(=O)OC

Isomeric SMILES

COC(=O)CCC1=CC(=C(O1)C2=CC=C(C=C2)C3=CC=C(C=C3)C(=N)N)C(=O)OC

InChI

InChI=1S/C23H22N2O5/c1-28-20(26)12-11-18-13-19(23(27)29-2)21(30-18)16-7-3-14(4-8-16)15-5-9-17(10-6-15)22(24)25/h3-10,13H,11-12H2,1-2H3,(H3,24,25)