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

Systemtic Name: 2-[2-[[(4-carbamimidoylphenyl)amino]methyl]-4-methyl-phenyl]-5-(methylcarbamoyl)furan-3-carboxylic acid Openeye Name: 2-[2-[(4-carbamimidoylanilino)methyl]-4-methyl-phenyl]-5-(methylcarbamoyl)furan-3-carboxylic acid CAS Name: 2-[2-[(4-carbamimidoylanilino)methyl]-4-methylphenyl]-5-(methylcarbamoyl)-3-furancarboxylic acid IUPAC Name: 2-[2-[(4-carbamimidoylanilino)methyl]-4-methylphenyl]-5-(methylcarbamoyl)furan-3-carboxylic acid Traditional Name: 2-[2-[(4-amidinoanilino)methyl]-4-methyl-phenyl]-5-(methylcarbamoyl)-3-furoic acid Formula: C22H22N4O4 MolecularWeight: 406.43448

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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)CNC3=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)CNC3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C22H22N4O4/c1-12-3-8-16(19-17(22(28)29)10-18(30-19)21(27)25-2)14(9-12)11-26-15-6-4-13(5-7-15)20(23)24/h3-10,26H,11H2,1-2H3,(H3,23,24)(H,25,27)(H,28,29)