3-[2-[2-(9-oxidanylideneacridin-10-yl)ethoxy]-4-(pyrazol-1-ylmethyl)phenyl]propanoic acid

Systemtic Name: 3-[2-[2-(9-oxidanylideneacridin-10-yl)ethoxy]-4-(pyrazol-1-ylmethyl)phenyl]propanoic acid Openeye Name: 3-[2-[2-(9-oxoacridin-10-yl)ethoxy]-4-(pyrazol-1-ylmethyl)phenyl]propanoic acid CAS Name: 3-[2-[2-(9-oxo-10-acridinyl)ethoxy]-4-(1-pyrazolylmethyl)phenyl]propanoic acid IUPAC Name: 3-[2-[2-(9-oxoacridin-10-yl)ethoxy]-4-(pyrazol-1-ylmethyl)phenyl]propanoic acid Traditional Name: 3-[2-[2-(9-ketoacridin-10-yl)ethoxy]-4-(pyrazol-1-ylmethyl)phenyl]propionic acid Formula: C28H25N3O4 MolecularWeight: 467.5158

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=CC=CC=C3N2CCOC4=C(C=CC(=C4)CN5C=CC=N5)CCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=CC=CC=C3N2CCOC4=C(C=CC(=C4)CN5C=CC=N5)CCC(=O)O

InChI

InChI=1S/C28H25N3O4/c32-27(33)13-12-21-11-10-20(19-30-15-5-14-29-30)18-26(21)35-17-16-31-24-8-3-1-6-22(24)28(34)23-7-2-4-9-25(23)31/h1-11,14-15,18H,12-13,16-17,19H2,(H,32,33)