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

Systemtic Name: 2-[3-chloranyl-5-[2-cyanoethyl(cyclobutyl)carbamoyl]phenoxy]ethyl-pyridin-4-yl-carbamic acid Openeye Name: 2-[3-chloro-5-[2-cyanoethyl(cyclobutyl)carbamoyl]phenoxy]ethyl-(4-pyridyl)carbamic acid CAS Name: 2-[3-chloro-5-[[2-cyanoethyl(cyclobutyl)amino]-oxomethyl]phenoxy]ethyl-pyridin-4-ylcarbamic acid IUPAC Name: 2-[3-chloro-5-[2-cyanoethyl(cyclobutyl)carbamoyl]phenoxy]ethyl-pyridin-4-ylcarbamic acid Traditional Name: 2-[3-chloro-5-[2-cyanoethyl(cyclobutyl)carbamoyl]phenoxy]ethyl-(4-pyridyl)carbamic acid Formula: C22H23ClN4O4 MolecularWeight: 442.89542

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)N(CCC#N)C(=O)C2=CC(=CC(=C2)Cl)OCCN(C3=CC=NC=C3)C(=O)O

Isomeric SMILES

C1CC(C1)N(CCC#N)C(=O)C2=CC(=CC(=C2)Cl)OCCN(C3=CC=NC=C3)C(=O)O

InChI

InChI=1S/C22H23ClN4O4/c23-17-13-16(21(28)26(10-2-7-24)18-3-1-4-18)14-20(15-17)31-12-11-27(22(29)30)19-5-8-25-9-6-19/h5-6,8-9,13-15,18H,1-4,10-12H2,(H,29,30)