4-[2-[4-methyl-2-(1,2,4-triazol-4-yl)phenoxy]ethanoylamino]benzoic acid

Systemtic Name: 4-[2-[4-methyl-2-(1,2,4-triazol-4-yl)phenoxy]ethanoylamino]benzoic acid Openeye Name: 4-[[2-[4-methyl-2-(1,2,4-triazol-4-yl)phenoxy]acetyl]amino]benzoic acid CAS Name: 4-[[2-[4-methyl-2-(1,2,4-triazol-4-yl)phenoxy]-1-oxoethyl]amino]benzoic acid IUPAC Name: 4-[[2-[4-methyl-2-(1,2,4-triazol-4-yl)phenoxy]acetyl]amino]benzoic acid Traditional Name: 4-[[2-[4-methyl-2-(1,2,4-triazol-4-yl)phenoxy]acetyl]amino]benzoic acid Formula: C18H16N4O4 MolecularWeight: 352.34404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCC(=O)NC2=CC=C(C=C2)C(=O)O)N3C=NN=C3

Isomeric SMILES

CC1=CC(=C(C=C1)OCC(=O)NC2=CC=C(C=C2)C(=O)O)N3C=NN=C3

InChI

InChI=1S/C18H16N4O4/c1-12-2-7-16(15(8-12)22-10-19-20-11-22)26-9-17(23)21-14-5-3-13(4-6-14)18(24)25/h2-8,10-11H,9H2,1H3,(H,21,23)(H,24,25)