2-[3-chloranyl-5-[(3-cyano-2-fluoranyl-4-propyl-phenyl)carbamoyl]phenoxy]ethyl-pyridin-4-yl-carbamic acid

Systemtic Name: 2-[3-chloranyl-5-[(3-cyano-2-fluoranyl-4-propyl-phenyl)carbamoyl]phenoxy]ethyl-pyridin-4-yl-carbamic acid Openeye Name: 2-[3-chloro-5-[(3-cyano-2-fluoro-4-propyl-phenyl)carbamoyl]phenoxy]ethyl-(4-pyridyl)carbamic acid CAS Name: 2-[3-chloro-5-[(3-cyano-2-fluoro-4-propylanilino)-oxomethyl]phenoxy]ethyl-pyridin-4-ylcarbamic acid IUPAC Name: 2-[3-chloro-5-[(3-cyano-2-fluoro-4-propylphenyl)carbamoyl]phenoxy]ethyl-pyridin-4-ylcarbamic acid Traditional Name: 2-[3-chloro-5-[(3-cyano-2-fluoro-4-propyl-phenyl)carbamoyl]phenoxy]ethyl-(4-pyridyl)carbamic acid Formula: C25H22ClFN4O4 MolecularWeight: 496.917983

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=C(C=C1)NC(=O)C2=CC(=CC(=C2)Cl)OCCN(C3=CC=NC=C3)C(=O)O)F)C#N

Isomeric SMILES

CCCC1=C(C(=C(C=C1)NC(=O)C2=CC(=CC(=C2)Cl)OCCN(C3=CC=NC=C3)C(=O)O)F)C#N

InChI

InChI=1S/C25H22ClFN4O4/c1-2-3-16-4-5-22(23(27)21(16)15-28)30-24(32)17-12-18(26)14-20(13-17)35-11-10-31(25(33)34)19-6-8-29-9-7-19/h4-9,12-14H,2-3,10-11H2,1H3,(H,30,32)(H,33,34)