3-[[6-[(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)methyl]pyridin-2-yl]carbonylamino]benzoic acid hydrochloride

Systemtic Name: 3-[[6-[(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)methyl]pyridin-2-yl]carbonylamino]benzoic acid hydrochloride Openeye Name: 3-[[6-[(4-acetyl-3-hydroxy-2-propyl-phenoxy)methyl]pyridine-2-carbonyl]amino]benzoic acid hydrochloride CAS Name: 3-[[[6-[(4-acetyl-3-hydroxy-2-propylphenoxy)methyl]-2-pyridinyl]-oxomethyl]amino]benzoic acid hydrochloride IUPAC Name: 3-[[6-[(4-acetyl-3-hydroxy-2-propylphenoxy)methyl]pyridine-2-carbonyl]amino]benzoic acid hydrochloride Traditional Name: 3-[[6-[(4-acetyl-3-hydroxy-2-propyl-phenoxy)methyl]picolinoyl]amino]benzoic acid hydrochloride Formula: C25H25ClN2O6 MolecularWeight: 484.9288

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCC2=CC=CC(=N2)C(=O)NC3=CC=CC(=C3)C(=O)O.Cl

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCC2=CC=CC(=N2)C(=O)NC3=CC=CC(=C3)C(=O)O.Cl

InChI

InChI=1S/C25H24N2O6.ClH/c1-3-6-20-22(12-11-19(15(2)28)23(20)29)33-14-18-9-5-10-21(26-18)24(30)27-17-8-4-7-16(13-17)25(31)32;/h4-5,7-13,29H,3,6,14H2,1-2H3,(H,27,30)(H,31,32);1H