2-[3-[(diphenylmethyl)carbamoyl]-1,2,4-triazol-1-yl]octanoic acid

Systemtic Name: 2-[3-[(diphenylmethyl)carbamoyl]-1,2,4-triazol-1-yl]octanoic acid Openeye Name: 2-[3-(benzhydrylcarbamoyl)-1,2,4-triazol-1-yl]octanoic acid CAS Name: 2-[3-[[(diphenylmethyl)amino]-oxomethyl]-1,2,4-triazol-1-yl]octanoic acid IUPAC Name: 2-[3-(benzhydrylcarbamoyl)-1,2,4-triazol-1-yl]octanoic acid Traditional Name: 2-[3-(benzhydrylcarbamoyl)-1,2,4-triazol-1-yl]caprylic acid Formula: C24H28N4O3 MolecularWeight: 420.50412

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(=O)O)N1C=NC(=N1)C(=O)NC(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCCCCCC(C(=O)O)N1C=NC(=N1)C(=O)NC(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C24H28N4O3/c1-2-3-4-11-16-20(24(30)31)28-17-25-22(27-28)23(29)26-21(18-12-7-5-8-13-18)19-14-9-6-10-15-19/h5-10,12-15,17,20-21H,2-4,11,16H2,1H3,(H,26,29)(H,30,31)