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

Systemtic Name: 2-[3-chloranyl-5-[2-cyanoethyl(2-methylpropyl)carbamoyl]phenoxy]ethyl-pyridin-4-yl-carbamic acid Openeye Name: 2-[3-chloro-5-[2-cyanoethyl(isobutyl)carbamoyl]phenoxy]ethyl-(4-pyridyl)carbamic acid CAS Name: 2-[3-chloro-5-[[2-cyanoethyl(2-methylpropyl)amino]-oxomethyl]phenoxy]ethyl-pyridin-4-ylcarbamic acid IUPAC Name: 2-[3-chloro-5-[2-cyanoethyl(2-methylpropyl)carbamoyl]phenoxy]ethyl-pyridin-4-ylcarbamic acid Traditional Name: 2-[3-chloro-5-[2-cyanoethyl(isobutyl)carbamoyl]phenoxy]ethyl-(4-pyridyl)carbamic acid Formula: C22H25ClN4O4 MolecularWeight: 444.9113

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25ClN4O4/c1-16(2)15-26(9-3-6-24)21(28)17-12-18(23)14-20(13-17)31-11-10-27(22(29)30)19-4-7-25-8-5-19/h4-5,7-8,12-14,16H,3,9-11,15H2,1-2H3,(H,29,30)