4-[5-[1-ethyl-5-(2-methylpropyl)pyrazol-3-yl]-1-propan-2-yl-pyrrol-2-yl]benzoic acid

Systemtic Name: 4-[5-[1-ethyl-5-(2-methylpropyl)pyrazol-3-yl]-1-propan-2-yl-pyrrol-2-yl]benzoic acid Openeye Name: 4-[5-(1-ethyl-5-isobutyl-pyrazol-3-yl)-1-isopropyl-pyrrol-2-yl]benzoic acid CAS Name: 4-[5-[1-ethyl-5-(2-methylpropyl)-3-pyrazolyl]-1-propan-2-yl-2-pyrrolyl]benzoic acid IUPAC Name: 4-[5-[1-ethyl-5-(2-methylpropyl)pyrazol-3-yl]-1-propan-2-ylpyrrol-2-yl]benzoic acid Traditional Name: 4-[5-(1-ethyl-5-isobutyl-pyrazol-3-yl)-1-isopropyl-pyrrol-2-yl]benzoic acid Formula: C23H29N3O2 MolecularWeight: 379.49526

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC(=N1)C2=CC=C(N2C(C)C)C3=CC=C(C=C3)C(=O)O)CC(C)C

Isomeric SMILES

CCN1C(=CC(=N1)C2=CC=C(N2C(C)C)C3=CC=C(C=C3)C(=O)O)CC(C)C

InChI

InChI=1S/C23H29N3O2/c1-6-25-19(13-15(2)3)14-20(24-25)22-12-11-21(26(22)16(4)5)17-7-9-18(10-8-17)23(27)28/h7-12,14-16H,6,13H2,1-5H3,(H,27,28)