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

Systemtic Name: 2-[3-chloranyl-5-[2-cyanoethyl(2,2-dimethylpropyl)carbamoyl]phenoxy]ethyl-pyridin-4-yl-carbamic acid Openeye Name: 2-[3-chloro-5-[2-cyanoethyl(2,2-dimethylpropyl)carbamoyl]phenoxy]ethyl-(4-pyridyl)carbamic acid CAS Name: 2-[3-chloro-5-[[2-cyanoethyl(2,2-dimethylpropyl)amino]-oxomethyl]phenoxy]ethyl-pyridin-4-ylcarbamic acid IUPAC Name: 2-[3-chloro-5-[2-cyanoethyl(2,2-dimethylpropyl)carbamoyl]phenoxy]ethyl-pyridin-4-ylcarbamic acid Traditional Name: 2-[3-chloro-5-[2-cyanoethyl(neopentyl)carbamoyl]phenoxy]ethyl-(4-pyridyl)carbamic acid Formula: C23H27ClN4O4 MolecularWeight: 458.93788

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27ClN4O4/c1-23(2,3)16-27(10-4-7-25)21(29)17-13-18(24)15-20(14-17)32-12-11-28(22(30)31)19-5-8-26-9-6-19/h5-6,8-9,13-15H,4,10-12,16H2,1-3H3,(H,30,31)