2-[2-[(4-carbamimidoylphenyl)carbamoyl]-4-methyl-phenyl]-5-(methylcarbamoyl)furan-3-carboxylic acid

Systemtic Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-4-methyl-phenyl]-5-(methylcarbamoyl)furan-3-carboxylic acid Openeye Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-4-methyl-phenyl]-5-(methylcarbamoyl)furan-3-carboxylic acid CAS Name: 2-[2-[(4-carbamimidoylanilino)-oxomethyl]-4-methylphenyl]-5-(methylcarbamoyl)-3-furancarboxylic acid IUPAC Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-4-methylphenyl]-5-(methylcarbamoyl)furan-3-carboxylic acid Traditional Name: 2-[2-[(4-amidinophenyl)carbamoyl]-4-methyl-phenyl]-5-(methylcarbamoyl)-3-furoic acid Formula: C22H20N4O5 MolecularWeight: 420.418

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2=C(C=C(O2)C(=O)NC)C(=O)O)C(=O)NC3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CC1=CC(=C(C=C1)C2=C(C=C(O2)C(=O)NC)C(=O)O)C(=O)NC3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C22H20N4O5/c1-11-3-8-14(18-16(22(29)30)10-17(31-18)21(28)25-2)15(9-11)20(27)26-13-6-4-12(5-7-13)19(23)24/h3-10H,1-2H3,(H3,23,24)(H,25,28)(H,26,27)(H,29,30)