4-[4-[2-[(2-butoxy-5-chloranyl-pyridin-3-yl)carbonylamino]ethyl]phenyl]benzoic acid

Systemtic Name: 4-[4-[2-[(2-butoxy-5-chloranyl-pyridin-3-yl)carbonylamino]ethyl]phenyl]benzoic acid Openeye Name: 4-[4-[2-[(2-butoxy-5-chloro-pyridine-3-carbonyl)amino]ethyl]phenyl]benzoic acid CAS Name: 4-[4-[2-[[(2-butoxy-5-chloro-3-pyridinyl)-oxomethyl]amino]ethyl]phenyl]benzoic acid IUPAC Name: 4-[4-[2-[(2-butoxy-5-chloropyridine-3-carbonyl)amino]ethyl]phenyl]benzoic acid Traditional Name: 4-[4-[2-[(2-butoxy-5-chloro-nicotinoyl)amino]ethyl]phenyl]benzoic acid Formula: C25H25ClN2O4 MolecularWeight: 452.93

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC=C(C=C1C(=O)NCCC2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)O)Cl

Isomeric SMILES

CCCCOC1=NC=C(C=C1C(=O)NCCC2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)O)Cl

InChI

InChI=1S/C25H25ClN2O4/c1-2-3-14-32-24-22(15-21(26)16-28-24)23(29)27-13-12-17-4-6-18(7-5-17)19-8-10-20(11-9-19)25(30)31/h4-11,15-16H,2-3,12-14H2,1H3,(H,27,29)(H,30,31)