1-(4-butylphenyl)-5-propan-2-yl-1,2,4-triazole-3-carboxylic acid

Systemtic Name: 1-(4-butylphenyl)-5-propan-2-yl-1,2,4-triazole-3-carboxylic acid Openeye Name: 1-(4-butylphenyl)-5-isopropyl-1,2,4-triazole-3-carboxylic acid CAS Name: 1-(4-butylphenyl)-5-propan-2-yl-1,2,4-triazole-3-carboxylic acid IUPAC Name: 1-(4-butylphenyl)-5-propan-2-yl-1,2,4-triazole-3-carboxylic acid Traditional Name: 1-(4-butylphenyl)-5-isopropyl-1,2,4-triazole-3-carboxylic acid Formula: C16H21N3O2 MolecularWeight: 287.35684

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2C(=NC(=N2)C(=O)O)C(C)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C(=NC(=N2)C(=O)O)C(C)C

InChI

InChI=1S/C16H21N3O2/c1-4-5-6-12-7-9-13(10-8-12)19-15(11(2)3)17-14(18-19)16(20)21/h7-11H,4-6H2,1-3H3,(H,20,21)