2-[4-[(5-but-3-enyl-3-ethyl-1,2,4-triazol-1-yl)methyl]phenyl]benzoic acid

Systemtic Name: 2-[4-[(5-but-3-enyl-3-ethyl-1,2,4-triazol-1-yl)methyl]phenyl]benzoic acid Openeye Name: 2-[4-[(5-but-3-enyl-3-ethyl-1,2,4-triazol-1-yl)methyl]phenyl]benzoic acid CAS Name: 2-[4-[(5-but-3-enyl-3-ethyl-1,2,4-triazol-1-yl)methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[(5-but-3-enyl-3-ethyl-1,2,4-triazol-1-yl)methyl]phenyl]benzoic acid Traditional Name: 2-[4-[(5-but-3-enyl-3-ethyl-1,2,4-triazol-1-yl)methyl]phenyl]benzoic acid Formula: C22H23N3O2 MolecularWeight: 361.43692

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C(=N1)CCC=C)CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O

Isomeric SMILES

CCC1=NN(C(=N1)CCC=C)CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O

InChI

InChI=1S/C22H23N3O2/c1-3-5-10-21-23-20(4-2)24-25(21)15-16-11-13-17(14-12-16)18-8-6-7-9-19(18)22(26)27/h3,6-9,11-14H,1,4-5,10,15H2,2H3,(H,26,27)