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

Systemtic Name: 3-chloranyl-2-[2-[6-(4-phenylmethoxyphenoxy)pyridin-3-yl]ethanoylamino]benzoic acid Openeye Name: 2-[[2-[6-(4-benzyloxyphenoxy)-3-pyridyl]acetyl]amino]-3-chloro-benzoic acid CAS Name: 3-chloro-2-[[1-oxo-2-[6-(4-phenylmethoxyphenoxy)-3-pyridinyl]ethyl]amino]benzoic acid IUPAC Name: 3-chloro-2-[[2-[6-(4-phenylmethoxyphenoxy)pyridin-3-yl]acetyl]amino]benzoic acid Traditional Name: 2-[[2-[6-(4-benzoxyphenoxy)-3-pyridyl]acetyl]amino]-3-chloro-benzoic acid Formula: C27H21ClN2O5 MolecularWeight: 488.91904

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=C(C=C2)OC3=NC=C(C=C3)CC(=O)NC4=C(C=CC=C4Cl)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)OC3=NC=C(C=C3)CC(=O)NC4=C(C=CC=C4Cl)C(=O)O

InChI

InChI=1S/C27H21ClN2O5/c28-23-8-4-7-22(27(32)33)26(23)30-24(31)15-19-9-14-25(29-16-19)35-21-12-10-20(11-13-21)34-17-18-5-2-1-3-6-18/h1-14,16H,15,17H2,(H,30,31)(H,32,33)