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

Systemtic Name: 2-[3-chloranyl-5-[2-cyanoethyl(cyclopropyl)carbamoyl]phenoxy]ethyl-pyridin-4-yl-carbamic acid Openeye Name: 2-[3-chloro-5-[2-cyanoethyl(cyclopropyl)carbamoyl]phenoxy]ethyl-(4-pyridyl)carbamic acid CAS Name: 2-[3-chloro-5-[[2-cyanoethyl(cyclopropyl)amino]-oxomethyl]phenoxy]ethyl-pyridin-4-ylcarbamic acid IUPAC Name: 2-[3-chloro-5-[2-cyanoethyl(cyclopropyl)carbamoyl]phenoxy]ethyl-pyridin-4-ylcarbamic acid Traditional Name: 2-[3-chloro-5-[2-cyanoethyl(cyclopropyl)carbamoyl]phenoxy]ethyl-(4-pyridyl)carbamic acid Formula: C21H21ClN4O4 MolecularWeight: 428.86884

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N(CCC#N)C(=O)C2=CC(=CC(=C2)Cl)OCCN(C3=CC=NC=C3)C(=O)O

Isomeric SMILES

C1CC1N(CCC#N)C(=O)C2=CC(=CC(=C2)Cl)OCCN(C3=CC=NC=C3)C(=O)O

InChI

InChI=1S/C21H21ClN4O4/c22-16-12-15(20(27)25(9-1-6-23)17-2-3-17)13-19(14-16)30-11-10-26(21(28)29)18-4-7-24-8-5-18/h4-5,7-8,12-14,17H,1-3,9-11H2,(H,28,29)