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

Systemtic Name: 2-[4-[(2-but-3-enyl-5-propanoyl-1,2,4-triazol-3-yl)methyl]phenyl]benzoic acid Openeye Name: 2-[4-[(2-but-3-enyl-5-propanoyl-1,2,4-triazol-3-yl)methyl]phenyl]benzoic acid CAS Name: 2-[4-[[2-but-3-enyl-5-(1-oxopropyl)-1,2,4-triazol-3-yl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[(2-but-3-enyl-5-propanoyl-1,2,4-triazol-3-yl)methyl]phenyl]benzoic acid Traditional Name: 2-[4-[(2-but-3-enyl-5-propionyl-1,2,4-triazol-3-yl)methyl]phenyl]benzoic acid Formula: C23H23N3O3 MolecularWeight: 389.44702

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23N3O3/c1-3-5-14-26-21(24-22(25-26)20(27)4-2)15-16-10-12-17(13-11-16)18-8-6-7-9-19(18)23(28)29/h3,6-13H,1,4-5,14-15H2,2H3,(H,28,29)