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

Systemtic Name: 2-[4-[(5-but-3-enyl-3-propan-2-yl-1,2,4-triazol-1-yl)methyl]phenyl]benzoic acid Openeye Name: 2-[4-[(5-but-3-enyl-3-isopropyl-1,2,4-triazol-1-yl)methyl]phenyl]benzoic acid CAS Name: 2-[4-[(5-but-3-enyl-3-propan-2-yl-1,2,4-triazol-1-yl)methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[(5-but-3-enyl-3-propan-2-yl-1,2,4-triazol-1-yl)methyl]phenyl]benzoic acid Traditional Name: 2-[4-[(5-but-3-enyl-3-isopropyl-1,2,4-triazol-1-yl)methyl]phenyl]benzoic acid Formula: C23H25N3O2 MolecularWeight: 375.4635

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N3O2/c1-4-5-10-21-24-22(16(2)3)25-26(21)15-17-11-13-18(14-12-17)19-8-6-7-9-20(19)23(27)28/h4,6-9,11-14,16H,1,5,10,15H2,2-3H3,(H,27,28)