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

Systemtic Name: 5-chloranyl-2-[2-[6-(4-phenylmethoxyphenoxy)pyridin-3-yl]ethanoylamino]benzoic acid Openeye Name: 2-[[2-[6-(4-benzyloxyphenoxy)-3-pyridyl]acetyl]amino]-5-chloro-benzoic acid CAS Name: 5-chloro-2-[[1-oxo-2-[6-(4-phenylmethoxyphenoxy)-3-pyridinyl]ethyl]amino]benzoic acid IUPAC Name: 5-chloro-2-[[2-[6-(4-phenylmethoxyphenoxy)pyridin-3-yl]acetyl]amino]benzoic acid Traditional Name: 2-[[2-[6-(4-benzoxyphenoxy)-3-pyridyl]acetyl]amino]-5-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=C(C=C4)Cl)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=C(C=C4)Cl)C(=O)O

InChI

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