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

Systemtic Name: 2-[3-chloranyl-5-[2-cyanoethyl(propan-2-yl)carbamoyl]phenoxy]ethyl-pyridin-4-yl-carbamic acid Openeye Name: 2-[3-chloro-5-[2-cyanoethyl(isopropyl)carbamoyl]phenoxy]ethyl-(4-pyridyl)carbamic acid CAS Name: 2-[3-chloro-5-[[2-cyanoethyl(propan-2-yl)amino]-oxomethyl]phenoxy]ethyl-pyridin-4-ylcarbamic acid IUPAC Name: 2-[3-chloro-5-[2-cyanoethyl(propan-2-yl)carbamoyl]phenoxy]ethyl-pyridin-4-ylcarbamic acid Traditional Name: 2-[3-chloro-5-[2-cyanoethyl(isopropyl)carbamoyl]phenoxy]ethyl-(4-pyridyl)carbamic acid Formula: C21H23ClN4O4 MolecularWeight: 430.88472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23ClN4O4/c1-15(2)25(9-3-6-23)20(27)16-12-17(22)14-19(13-16)30-11-10-26(21(28)29)18-4-7-24-8-5-18/h4-5,7-8,12-15H,3,9-11H2,1-2H3,(H,28,29)