3-acetamido-5-[3-(2-phenylmethoxyphenyl)pyridin-4-yl]benzoic acid

Systemtic Name: 3-acetamido-5-[3-(2-phenylmethoxyphenyl)pyridin-4-yl]benzoic acid Openeye Name: 3-acetamido-5-[3-(2-benzyloxyphenyl)-4-pyridyl]benzoic acid CAS Name: 3-acetamido-5-[3-(2-phenylmethoxyphenyl)-4-pyridinyl]benzoic acid IUPAC Name: 3-acetamido-5-[3-(2-phenylmethoxyphenyl)pyridin-4-yl]benzoic acid Traditional Name: 3-acetamido-5-[3-(2-benzoxyphenyl)-4-pyridyl]benzoic acid Formula: C27H22N2O4 MolecularWeight: 438.47458

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=CC(=C1)C(=O)O)C2=C(C=NC=C2)C3=CC=CC=C3OCC4=CC=CC=C4

Isomeric SMILES

CC(=O)NC1=CC(=CC(=C1)C(=O)O)C2=C(C=NC=C2)C3=CC=CC=C3OCC4=CC=CC=C4

InChI

InChI=1S/C27H22N2O4/c1-18(30)29-22-14-20(13-21(15-22)27(31)32)23-11-12-28-16-25(23)24-9-5-6-10-26(24)33-17-19-7-3-2-4-8-19/h2-16H,17H2,1H3,(H,29,30)(H,31,32)