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

Systemtic Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-4-ethenyl-phenyl]-5-ethanoyl-benzoic acid Openeye Name: 5-acetyl-2-[2-[(4-carbamimidoylphenyl)carbamoyl]-4-vinyl-phenyl]benzoic acid CAS Name: 5-acetyl-2-[2-[(4-carbamimidoylanilino)-oxomethyl]-4-ethenylphenyl]benzoic acid IUPAC Name: 5-acetyl-2-[2-[(4-carbamimidoylphenyl)carbamoyl]-4-ethenylphenyl]benzoic acid Traditional Name: 5-acetyl-2-[2-[(4-amidinophenyl)carbamoyl]-4-vinyl-phenyl]benzoic acid Formula: C25H21N3O4 MolecularWeight: 427.45194

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)C2=C(C=C(C=C2)C=C)C(=O)NC3=CC=C(C=C3)C(=N)N)C(=O)O

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)C2=C(C=C(C=C2)C=C)C(=O)NC3=CC=C(C=C3)C(=N)N)C(=O)O

InChI

InChI=1S/C25H21N3O4/c1-3-15-4-10-19(20-11-7-17(14(2)29)13-22(20)25(31)32)21(12-15)24(30)28-18-8-5-16(6-9-18)23(26)27/h3-13H,1H2,2H3,(H3,26,27)(H,28,30)(H,31,32)