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

Systemtic Name: 1-[4-[(3,5-dipropyl-1,2,4-triazol-1-yl)methyl]phenyl]pyrrole-2-carboxylic acid Openeye Name: 1-[4-[(3,5-dipropyl-1,2,4-triazol-1-yl)methyl]phenyl]pyrrole-2-carboxylic acid CAS Name: 1-[4-[(3,5-dipropyl-1,2,4-triazol-1-yl)methyl]phenyl]-2-pyrrolecarboxylic acid IUPAC Name: 1-[4-[(3,5-dipropyl-1,2,4-triazol-1-yl)methyl]phenyl]pyrrole-2-carboxylic acid Traditional Name: 1-[4-[(3,5-dipropyl-1,2,4-triazol-1-yl)methyl]phenyl]pyrrole-2-carboxylic acid Formula: C20H24N4O2 MolecularWeight: 352.43016

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=N1)CCC)CC2=CC=C(C=C2)N3C=CC=C3C(=O)O

Isomeric SMILES

CCCC1=NN(C(=N1)CCC)CC2=CC=C(C=C2)N3C=CC=C3C(=O)O

InChI

InChI=1S/C20H24N4O2/c1-3-6-18-21-19(7-4-2)24(22-18)14-15-9-11-16(12-10-15)23-13-5-8-17(23)20(25)26/h5,8-13H,3-4,6-7,14H2,1-2H3,(H,25,26)