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

Systemtic Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-4-ethenyl-5-methyl-phenyl]-5-ethanoyl-benzoic acid Openeye Name: 5-acetyl-2-[2-[(4-carbamimidoylphenyl)carbamoyl]-5-methyl-4-vinyl-phenyl]benzoic acid CAS Name: 5-acetyl-2-[2-[(4-carbamimidoylanilino)-oxomethyl]-4-ethenyl-5-methylphenyl]benzoic acid IUPAC Name: 5-acetyl-2-[2-[(4-carbamimidoylphenyl)carbamoyl]-4-ethenyl-5-methylphenyl]benzoic acid Traditional Name: 5-acetyl-2-[2-[(4-amidinophenyl)carbamoyl]-5-methyl-4-vinyl-phenyl]benzoic acid Formula: C26H23N3O4 MolecularWeight: 441.47852

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H23N3O4/c1-4-16-12-22(25(31)29-19-8-5-17(6-9-19)24(27)28)21(11-14(16)2)20-10-7-18(15(3)30)13-23(20)26(32)33/h4-13H,1H2,2-3H3,(H3,27,28)(H,29,31)(H,32,33)