2-[3-chloranyl-5-[2-cyanoethyl-(2-fluorophenyl)carbamoyl]phenoxy]ethyl-pyridin-4-yl-carbamic acid

Systemtic Name: 2-[3-chloranyl-5-[2-cyanoethyl-(2-fluorophenyl)carbamoyl]phenoxy]ethyl-pyridin-4-yl-carbamic acid Openeye Name: 2-[3-chloro-5-[2-cyanoethyl-(2-fluorophenyl)carbamoyl]phenoxy]ethyl-(4-pyridyl)carbamic acid CAS Name: 2-[3-chloro-5-[[N-(2-cyanoethyl)-2-fluoroanilino]-oxomethyl]phenoxy]ethyl-pyridin-4-ylcarbamic acid IUPAC Name: 2-[3-chloro-5-[2-cyanoethyl-(2-fluorophenyl)carbamoyl]phenoxy]ethyl-pyridin-4-ylcarbamic acid Traditional Name: 2-[3-chloro-5-[2-cyanoethyl-(2-fluorophenyl)carbamoyl]phenoxy]ethyl-(4-pyridyl)carbamic acid Formula: C24H20ClFN4O4 MolecularWeight: 482.891403

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H20ClFN4O4/c25-18-14-17(23(31)30(11-3-8-27)22-5-2-1-4-21(22)26)15-20(16-18)34-13-12-29(24(32)33)19-6-9-28-10-7-19/h1-2,4-7,9-10,14-16H,3,11-13H2,(H,32,33)