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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(NC1=C2C=CC(=N2)C3=CC=C(C=C3)C(=O)O)C(C)(C)C)C(C)C

Isomeric SMILES

CC\1=C(N(N/C1=C\2/C=CC(=N2)C3=CC=C(C=C3)C(=O)O)C(C)(C)C)C(C)C

InChI

InChI=1S/C22H27N3O2/c1-13(2)20-14(3)19(24-25(20)22(4,5)6)18-12-11-17(23-18)15-7-9-16(10-8-15)21(26)27/h7-13,24H,1-6H3,(H,26,27)/b19-18-