3-[2-[2-(1-benzothiophen-2-yl)ethoxy]-4-(pyrazol-1-ylmethyl)phenyl]propanoic acid

Systemtic Name: 3-[2-[2-(1-benzothiophen-2-yl)ethoxy]-4-(pyrazol-1-ylmethyl)phenyl]propanoic acid Openeye Name: 3-[2-[2-(benzothiophen-2-yl)ethoxy]-4-(pyrazol-1-ylmethyl)phenyl]propanoic acid CAS Name: 3-[2-[2-(1-benzothiophen-2-yl)ethoxy]-4-(1-pyrazolylmethyl)phenyl]propanoic acid IUPAC Name: 3-[2-[2-(1-benzothiophen-2-yl)ethoxy]-4-(pyrazol-1-ylmethyl)phenyl]propanoic acid Traditional Name: 3-[2-[2-(benzothiophen-2-yl)ethoxy]-4-(pyrazol-1-ylmethyl)phenyl]propionic acid Formula: C23H22N2O3S MolecularWeight: 406.49738

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(S2)CCOC3=C(C=CC(=C3)CN4C=CC=N4)CCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=C(S2)CCOC3=C(C=CC(=C3)CN4C=CC=N4)CCC(=O)O

InChI

InChI=1S/C23H22N2O3S/c26-23(27)9-8-18-7-6-17(16-25-12-3-11-24-25)14-21(18)28-13-10-20-15-19-4-1-2-5-22(19)29-20/h1-7,11-12,14-15H,8-10,13,16H2,(H,26,27)