3-methyl-2-[2-[6-(4-phenylmethoxyphenoxy)pyridin-3-yl]ethanoylamino]benzoic acid

Systemtic Name: 3-methyl-2-[2-[6-(4-phenylmethoxyphenoxy)pyridin-3-yl]ethanoylamino]benzoic acid Openeye Name: 2-[[2-[6-(4-benzyloxyphenoxy)-3-pyridyl]acetyl]amino]-3-methyl-benzoic acid CAS Name: 3-methyl-2-[[1-oxo-2-[6-(4-phenylmethoxyphenoxy)-3-pyridinyl]ethyl]amino]benzoic acid IUPAC Name: 3-methyl-2-[[2-[6-(4-phenylmethoxyphenoxy)pyridin-3-yl]acetyl]amino]benzoic acid Traditional Name: 2-[[2-[6-(4-benzoxyphenoxy)-3-pyridyl]acetyl]amino]-3-methyl-benzoic acid Formula: C28H24N2O5 MolecularWeight: 468.50056

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1NC(=O)CC2=CN=C(C=C2)OC3=CC=C(C=C3)OCC4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC1=CC=CC(=C1NC(=O)CC2=CN=C(C=C2)OC3=CC=C(C=C3)OCC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C28H24N2O5/c1-19-6-5-9-24(28(32)33)27(19)30-25(31)16-21-10-15-26(29-17-21)35-23-13-11-22(12-14-23)34-18-20-7-3-2-4-8-20/h2-15,17H,16,18H2,1H3,(H,30,31)(H,32,33)