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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1CN(CCC#N)C(=O)C2=CC(=CC(=C2)Cl)OCCN(C3=CC=NC=C3)C(=O)O

Isomeric SMILES

C1CC1CN(CCC#N)C(=O)C2=CC(=CC(=C2)Cl)OCCN(C3=CC=NC=C3)C(=O)O

InChI

InChI=1S/C22H23ClN4O4/c23-18-12-17(21(28)26(9-1-6-24)15-16-2-3-16)13-20(14-18)31-11-10-27(22(29)30)19-4-7-25-8-5-19/h4-5,7-8,12-14,16H,1-3,9-11,15H2,(H,29,30)