2-[1-[4-(3-butoxyphenyl)phenyl]-5-chloranyl-pyrazol-4-yl]ethanoic acid

Systemtic Name: 2-[1-[4-(3-butoxyphenyl)phenyl]-5-chloranyl-pyrazol-4-yl]ethanoic acid Openeye Name: 2-[1-[4-(3-butoxyphenyl)phenyl]-5-chloro-pyrazol-4-yl]acetic acid CAS Name: 2-[1-[4-(3-butoxyphenyl)phenyl]-5-chloro-4-pyrazolyl]acetic acid IUPAC Name: 2-[1-[4-(3-butoxyphenyl)phenyl]-5-chloropyrazol-4-yl]acetic acid Traditional Name: 2-[1-[4-(3-butoxyphenyl)phenyl]-5-chloro-pyrazol-4-yl]acetic acid Formula: C21H21ClN2O3 MolecularWeight: 384.85604

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C2=CC=C(C=C2)N3C(=C(C=N3)CC(=O)O)Cl

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C2=CC=C(C=C2)N3C(=C(C=N3)CC(=O)O)Cl

InChI

InChI=1S/C21H21ClN2O3/c1-2-3-11-27-19-6-4-5-16(12-19)15-7-9-18(10-8-15)24-21(22)17(14-23-24)13-20(25)26/h4-10,12,14H,2-3,11,13H2,1H3,(H,25,26)