4-[2-[5-chloranyl-3-cyclopropyl-2-[(3-ethylphenoxy)methyl]-6-oxidanylidene-pyridin-1-yl]ethyl]benzoic acid

Systemtic Name: 4-[2-[5-chloranyl-3-cyclopropyl-2-[(3-ethylphenoxy)methyl]-6-oxidanylidene-pyridin-1-yl]ethyl]benzoic acid Openeye Name: 4-[2-[5-chloro-3-cyclopropyl-2-[(3-ethylphenoxy)methyl]-6-oxo-1-pyridyl]ethyl]benzoic acid CAS Name: 4-[2-[5-chloro-3-cyclopropyl-2-[(3-ethylphenoxy)methyl]-6-oxo-1-pyridinyl]ethyl]benzoic acid IUPAC Name: 4-[2-[5-chloro-3-cyclopropyl-2-[(3-ethylphenoxy)methyl]-6-oxopyridin-1-yl]ethyl]benzoic acid Traditional Name: 4-[2-[5-chloro-3-cyclopropyl-2-[(3-ethylphenoxy)methyl]-6-keto-1-pyridyl]ethyl]benzoic acid Formula: C26H26ClNO4 MolecularWeight: 451.94194

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)OCC2=C(C=C(C(=O)N2CCC3=CC=C(C=C3)C(=O)O)Cl)C4CC4

Isomeric SMILES

CCC1=CC(=CC=C1)OCC2=C(C=C(C(=O)N2CCC3=CC=C(C=C3)C(=O)O)Cl)C4CC4

InChI

InChI=1S/C26H26ClNO4/c1-2-17-4-3-5-21(14-17)32-16-24-22(19-10-11-19)15-23(27)25(29)28(24)13-12-18-6-8-20(9-7-18)26(30)31/h3-9,14-15,19H,2,10-13,16H2,1H3,(H,30,31)