3-[2-(3-phenoxazin-10-ylpropoxy)-4-(pyrazol-1-ylmethyl)phenyl]propanoic acid

Systemtic Name: 3-[2-(3-phenoxazin-10-ylpropoxy)-4-(pyrazol-1-ylmethyl)phenyl]propanoic acid Openeye Name: 3-[2-(3-phenoxazin-10-ylpropoxy)-4-(pyrazol-1-ylmethyl)phenyl]propanoic acid CAS Name: 3-[2-[3-(10-phenoxazinyl)propoxy]-4-(1-pyrazolylmethyl)phenyl]propanoic acid IUPAC Name: 3-[2-(3-phenoxazin-10-ylpropoxy)-4-(pyrazol-1-ylmethyl)phenyl]propanoic acid Traditional Name: 3-[2-(3-phenoxazin-10-ylpropoxy)-4-(pyrazol-1-ylmethyl)phenyl]propionic acid Formula: C28H27N3O4 MolecularWeight: 469.53168

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C3=CC=CC=C3O2)CCCOC4=C(C=CC(=C4)CN5C=CC=N5)CCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N(C3=CC=CC=C3O2)CCCOC4=C(C=CC(=C4)CN5C=CC=N5)CCC(=O)O

InChI

InChI=1S/C28H27N3O4/c32-28(33)14-13-22-12-11-21(20-30-16-5-15-29-30)19-27(22)34-18-6-17-31-23-7-1-3-9-25(23)35-26-10-4-2-8-24(26)31/h1-5,7-12,15-16,19H,6,13-14,17-18,20H2,(H,32,33)