3-[4-[1-(4-carbamimidoylphenyl)-3-methyl-5-oxidanylidene-1,2,4-triazol-4-yl]phenyl]butanoic acid

Systemtic Name: 3-[4-[1-(4-carbamimidoylphenyl)-3-methyl-5-oxidanylidene-1,2,4-triazol-4-yl]phenyl]butanoic acid Openeye Name: 3-[4-[1-(4-carbamimidoylphenyl)-3-methyl-5-oxo-1,2,4-triazol-4-yl]phenyl]butanoic acid CAS Name: 3-[4-[1-(4-carbamimidoylphenyl)-3-methyl-5-oxo-1,2,4-triazol-4-yl]phenyl]butanoic acid IUPAC Name: 3-[4-[1-(4-carbamimidoylphenyl)-3-methyl-5-oxo-1,2,4-triazol-4-yl]phenyl]butanoic acid Traditional Name: 3-[4-[1-(4-amidinophenyl)-5-keto-3-methyl-1,2,4-triazol-4-yl]phenyl]butyric acid Formula: C20H21N5O3 MolecularWeight: 379.41244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)N1C2=CC=C(C=C2)C(C)CC(=O)O)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CC1=NN(C(=O)N1C2=CC=C(C=C2)C(C)CC(=O)O)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C20H21N5O3/c1-12(11-18(26)27)14-3-7-16(8-4-14)24-13(2)23-25(20(24)28)17-9-5-15(6-10-17)19(21)22/h3-10,12H,11H2,1-2H3,(H3,21,22)(H,26,27)