2-[6-[(5-propan-2-yl-2-propyl-1,2,4-triazol-3-yl)methyl]pyridin-3-yl]benzoic acid

Systemtic Name: 2-[6-[(5-propan-2-yl-2-propyl-1,2,4-triazol-3-yl)methyl]pyridin-3-yl]benzoic acid Openeye Name: 2-[6-[(5-isopropyl-2-propyl-1,2,4-triazol-3-yl)methyl]-3-pyridyl]benzoic acid CAS Name: 2-[6-[(5-propan-2-yl-2-propyl-1,2,4-triazol-3-yl)methyl]-3-pyridinyl]benzoic acid IUPAC Name: 2-[6-[(5-propan-2-yl-2-propyl-1,2,4-triazol-3-yl)methyl]pyridin-3-yl]benzoic acid Traditional Name: 2-[6-[(5-isopropyl-2-propyl-1,2,4-triazol-3-yl)methyl]-3-pyridyl]benzoic acid Formula: C21H24N4O2 MolecularWeight: 364.44086

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NC(=N1)C(C)C)CC2=NC=C(C=C2)C3=CC=CC=C3C(=O)O

Isomeric SMILES

CCCN1C(=NC(=N1)C(C)C)CC2=NC=C(C=C2)C3=CC=CC=C3C(=O)O

InChI

InChI=1S/C21H24N4O2/c1-4-11-25-19(23-20(24-25)14(2)3)12-16-10-9-15(13-22-16)17-7-5-6-8-18(17)21(26)27/h5-10,13-14H,4,11-12H2,1-3H3,(H,26,27)