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

Systemtic Name: 1-[4-[(5-butyl-3-phenethyl-1,2,4-triazol-1-yl)methyl]phenyl]pyrrole-2-carboxylic acid Openeye Name: 1-[4-[(5-butyl-3-phenethyl-1,2,4-triazol-1-yl)methyl]phenyl]pyrrole-2-carboxylic acid CAS Name: 1-[4-[(5-butyl-3-phenethyl-1,2,4-triazol-1-yl)methyl]phenyl]-2-pyrrolecarboxylic acid IUPAC Name: 1-[4-[(5-butyl-3-phenethyl-1,2,4-triazol-1-yl)methyl]phenyl]pyrrole-2-carboxylic acid Traditional Name: 1-[4-[(5-butyl-3-phenethyl-1,2,4-triazol-1-yl)methyl]phenyl]pyrrole-2-carboxylic acid Formula: C26H28N4O2 MolecularWeight: 428.52612

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=NN1CC2=CC=C(C=C2)N3C=CC=C3C(=O)O)CCC4=CC=CC=C4

Isomeric SMILES

CCCCC1=NC(=NN1CC2=CC=C(C=C2)N3C=CC=C3C(=O)O)CCC4=CC=CC=C4

InChI

InChI=1S/C26H28N4O2/c1-2-3-11-25-27-24(17-14-20-8-5-4-6-9-20)28-30(25)19-21-12-15-22(16-13-21)29-18-7-10-23(29)26(31)32/h4-10,12-13,15-16,18H,2-3,11,14,17,19H2,1H3,(H,31,32)