4-(2-methylphenyl)-2-(phenylcarbonyl)-2-[3-(pyridin-3-ylmethoxy)phenoxy]butanoic acid

Systemtic Name: 4-(2-methylphenyl)-2-(phenylcarbonyl)-2-[3-(pyridin-3-ylmethoxy)phenoxy]butanoic acid Openeye Name: 2-benzoyl-4-(o-tolyl)-2-[3-(3-pyridylmethoxy)phenoxy]butanoic acid CAS Name: 2-benzoyl-4-(2-methylphenyl)-2-[3-(3-pyridinylmethoxy)phenoxy]butanoic acid IUPAC Name: 2-benzoyl-4-(2-methylphenyl)-2-[3-(pyridin-3-ylmethoxy)phenoxy]butanoic acid Traditional Name: 2-benzoyl-4-(o-tolyl)-2-[3-(3-pyridylmethoxy)phenoxy]butyric acid Formula: C30H27NO5 MolecularWeight: 481.53908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CCC(C(=O)C2=CC=CC=C2)(C(=O)O)OC3=CC=CC(=C3)OCC4=CN=CC=C4

Isomeric SMILES

CC1=CC=CC=C1CCC(C(=O)C2=CC=CC=C2)(C(=O)O)OC3=CC=CC(=C3)OCC4=CN=CC=C4

InChI

InChI=1S/C30H27NO5/c1-22-9-5-6-11-24(22)16-17-30(29(33)34,28(32)25-12-3-2-4-13-25)36-27-15-7-14-26(19-27)35-21-23-10-8-18-31-20-23/h2-15,18-20H,16-17,21H2,1H3,(H,33,34)