2-[2-[3-(4-carbamimidoylphenyl)propanoylamino]-4-methyl-phenyl]-2-oxidanylidene-ethanoic acid

Systemtic Name: 2-[2-[3-(4-carbamimidoylphenyl)propanoylamino]-4-methyl-phenyl]-2-oxidanylidene-ethanoic acid Openeye Name: 2-[2-[3-(4-carbamimidoylphenyl)propanoylamino]-4-methyl-phenyl]-2-oxo-acetic acid CAS Name: 2-[2-[[3-(4-carbamimidoylphenyl)-1-oxopropyl]amino]-4-methylphenyl]-2-oxoacetic acid IUPAC Name: 2-[2-[3-(4-carbamimidoylphenyl)propanoylamino]-4-methylphenyl]-2-oxoacetic acid Traditional Name: 2-[2-[3-(4-amidinophenyl)propanoylamino]-4-methyl-phenyl]-2-keto-acetic acid Formula: C19H19N3O4 MolecularWeight: 353.37186

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)C(=O)O)NC(=O)CCC2=CC=C(C=C2)C(=N)N

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)C(=O)O)NC(=O)CCC2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C19H19N3O4/c1-11-2-8-14(17(24)19(25)26)15(10-11)22-16(23)9-5-12-3-6-13(7-4-12)18(20)21/h2-4,6-8,10H,5,9H2,1H3,(H3,20,21)(H,22,23)(H,25,26)