3-[3-(2-methoxypyridin-3-yl)octanoylamino]-4-phenyl-benzoic acid

Systemtic Name: 3-[3-(2-methoxypyridin-3-yl)octanoylamino]-4-phenyl-benzoic acid Openeye Name: 3-[3-(2-methoxy-3-pyridyl)octanoylamino]-4-phenyl-benzoic acid CAS Name: 3-[[3-(2-methoxy-3-pyridinyl)-1-oxooctyl]amino]-4-phenylbenzoic acid IUPAC Name: 3-[3-(2-methoxypyridin-3-yl)octanoylamino]-4-phenylbenzoic acid Traditional Name: 3-[3-(2-methoxy-3-pyridyl)octanoylamino]-4-phenyl-benzoic acid Formula: C27H30N2O4 MolecularWeight: 446.5381

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC(=O)NC1=C(C=CC(=C1)C(=O)O)C2=CC=CC=C2)C3=C(N=CC=C3)OC

Isomeric SMILES

CCCCCC(CC(=O)NC1=C(C=CC(=C1)C(=O)O)C2=CC=CC=C2)C3=C(N=CC=C3)OC

InChI

InChI=1S/C27H30N2O4/c1-3-4-6-12-20(23-13-9-16-28-26(23)33-2)18-25(30)29-24-17-21(27(31)32)14-15-22(24)19-10-7-5-8-11-19/h5,7-11,13-17,20H,3-4,6,12,18H2,1-2H3,(H,29,30)(H,31,32)