1-[4-[[3,5-bis(2-methylpropyl)-1,2,4-triazol-1-yl]methyl]phenyl]pyrrole-2-carboxylic acid

Systemtic Name: 1-[4-[[3,5-bis(2-methylpropyl)-1,2,4-triazol-1-yl]methyl]phenyl]pyrrole-2-carboxylic acid Openeye Name: 1-[4-[(3,5-diisobutyl-1,2,4-triazol-1-yl)methyl]phenyl]pyrrole-2-carboxylic acid CAS Name: 1-[4-[[3,5-bis(2-methylpropyl)-1,2,4-triazol-1-yl]methyl]phenyl]-2-pyrrolecarboxylic acid IUPAC Name: 1-[4-[[3,5-bis(2-methylpropyl)-1,2,4-triazol-1-yl]methyl]phenyl]pyrrole-2-carboxylic acid Traditional Name: 1-[4-[(3,5-diisobutyl-1,2,4-triazol-1-yl)methyl]phenyl]pyrrole-2-carboxylic acid Formula: C22H28N4O2 MolecularWeight: 380.48332

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=NN(C(=N1)CC(C)C)CC2=CC=C(C=C2)N3C=CC=C3C(=O)O

Isomeric SMILES

CC(C)CC1=NN(C(=N1)CC(C)C)CC2=CC=C(C=C2)N3C=CC=C3C(=O)O

InChI

InChI=1S/C22H28N4O2/c1-15(2)12-20-23-21(13-16(3)4)26(24-20)14-17-7-9-18(10-8-17)25-11-5-6-19(25)22(27)28/h5-11,15-16H,12-14H2,1-4H3,(H,27,28)