2-[2-[(4-carbamimidoylphenyl)carbamoyl]-4-(furan-2-yl)phenyl]-5-ethanoyl-benzoic acid

Systemtic Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-4-(furan-2-yl)phenyl]-5-ethanoyl-benzoic acid Openeye Name: 5-acetyl-2-[2-[(4-carbamimidoylphenyl)carbamoyl]-4-(2-furyl)phenyl]benzoic acid CAS Name: 5-acetyl-2-[2-[(4-carbamimidoylanilino)-oxomethyl]-4-(2-furanyl)phenyl]benzoic acid IUPAC Name: 5-acetyl-2-[2-[(4-carbamimidoylphenyl)carbamoyl]-4-(furan-2-yl)phenyl]benzoic acid Traditional Name: 5-acetyl-2-[2-[(4-amidinophenyl)carbamoyl]-4-(2-furyl)phenyl]benzoic acid Formula: C27H21N3O5 MolecularWeight: 467.47274

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)C2=C(C=C(C=C2)C3=CC=CO3)C(=O)NC4=CC=C(C=C4)C(=N)N)C(=O)O

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)C2=C(C=C(C=C2)C3=CC=CO3)C(=O)NC4=CC=C(C=C4)C(=N)N)C(=O)O

InChI

InChI=1S/C27H21N3O5/c1-15(31)17-6-10-21(23(13-17)27(33)34)20-11-7-18(24-3-2-12-35-24)14-22(20)26(32)30-19-8-4-16(5-9-19)25(28)29/h2-14H,1H3,(H3,28,29)(H,30,32)(H,33,34)