1-tert-butyl-3-naphthalen-1-yl-pyrazole-4-carboxylic acid

Systemtic Name: 1-tert-butyl-3-naphthalen-1-yl-pyrazole-4-carboxylic acid Openeye Name: 1-tert-butyl-3-(1-naphthyl)pyrazole-4-carboxylic acid CAS Name: 1-tert-butyl-3-(1-naphthalenyl)-4-pyrazolecarboxylic acid IUPAC Name: 1-tert-butyl-3-naphthalen-1-ylpyrazole-4-carboxylic acid Traditional Name: 1-tert-butyl-3-(1-naphthyl)pyrazole-4-carboxylic acid Formula: C18H18N2O2 MolecularWeight: 294.34772

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C=C(C(=N1)C2=CC=CC3=CC=CC=C32)C(=O)O

Isomeric SMILES

CC(C)(C)N1C=C(C(=N1)C2=CC=CC3=CC=CC=C32)C(=O)O

InChI

InChI=1S/C18H18N2O2/c1-18(2,3)20-11-15(17(21)22)16(19-20)14-10-6-8-12-7-4-5-9-13(12)14/h4-11H,1-3H3,(H,21,22)