4-[5-(1-tert-butyl-5-propan-2-yl-pyrazol-3-yl)-1-methyl-pyrrol-3-yl]benzoic acid

Systemtic Name: 4-[5-(1-tert-butyl-5-propan-2-yl-pyrazol-3-yl)-1-methyl-pyrrol-3-yl]benzoic acid Openeye Name: 4-[5-(1-tert-butyl-5-isopropyl-pyrazol-3-yl)-1-methyl-pyrrol-3-yl]benzoic acid CAS Name: 4-[5-(1-tert-butyl-5-propan-2-yl-3-pyrazolyl)-1-methyl-3-pyrrolyl]benzoic acid IUPAC Name: 4-[5-(1-tert-butyl-5-propan-2-ylpyrazol-3-yl)-1-methylpyrrol-3-yl]benzoic acid Traditional Name: 4-[5-(1-tert-butyl-5-isopropyl-pyrazol-3-yl)-1-methyl-pyrrol-3-yl]benzoic acid Formula: C22H27N3O2 MolecularWeight: 365.46868

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=NN1C(C)(C)C)C2=CC(=CN2C)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC(C)C1=CC(=NN1C(C)(C)C)C2=CC(=CN2C)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C22H27N3O2/c1-14(2)19-12-18(23-25(19)22(3,4)5)20-11-17(13-24(20)6)15-7-9-16(10-8-15)21(26)27/h7-14H,1-6H3,(H,26,27)