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

Systemtic Name: 2-[4-[(5-but-3-enyl-3-pentanoyl-1,2,4-triazol-1-yl)methyl]phenyl]benzoic acid Openeye Name: 2-[4-[(5-but-3-enyl-3-pentanoyl-1,2,4-triazol-1-yl)methyl]phenyl]benzoic acid CAS Name: 2-[4-[[5-but-3-enyl-3-(1-oxopentyl)-1,2,4-triazol-1-yl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[(5-but-3-enyl-3-pentanoyl-1,2,4-triazol-1-yl)methyl]phenyl]benzoic acid Traditional Name: 2-[4-[(5-but-3-enyl-3-valeryl-1,2,4-triazol-1-yl)methyl]phenyl]benzoic acid Formula: C25H27N3O3 MolecularWeight: 417.50018

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)C1=NN(C(=N1)CCC=C)CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O

Isomeric SMILES

CCCCC(=O)C1=NN(C(=N1)CCC=C)CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O

InChI

InChI=1S/C25H27N3O3/c1-3-5-11-22(29)24-26-23(12-6-4-2)28(27-24)17-18-13-15-19(16-14-18)20-9-7-8-10-21(20)25(30)31/h4,7-10,13-16H,2-3,5-6,11-12,17H2,1H3,(H,30,31)