2-[3-[2,3-bis(oxidanyl)propyl-cyclopentyl-carbamoyl]-5-chloranyl-phenoxy]ethyl-pyridin-4-yl-carbamic acid

Systemtic Name: 2-[3-[2,3-bis(oxidanyl)propyl-cyclopentyl-carbamoyl]-5-chloranyl-phenoxy]ethyl-pyridin-4-yl-carbamic acid Openeye Name: 2-[3-chloro-5-[cyclopentyl(2,3-dihydroxypropyl)carbamoyl]phenoxy]ethyl-(4-pyridyl)carbamic acid CAS Name: 2-[3-chloro-5-[[cyclopentyl(2,3-dihydroxypropyl)amino]-oxomethyl]phenoxy]ethyl-pyridin-4-ylcarbamic acid IUPAC Name: 2-[3-chloro-5-[cyclopentyl(2,3-dihydroxypropyl)carbamoyl]phenoxy]ethyl-pyridin-4-ylcarbamic acid Traditional Name: 2-[3-chloro-5-[cyclopentyl(glyceryl)carbamoyl]phenoxy]ethyl-(4-pyridyl)carbamic acid Formula: C23H28ClN3O6 MolecularWeight: 477.93792

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N(CC(CO)O)C(=O)C2=CC(=CC(=C2)Cl)OCCN(C3=CC=NC=C3)C(=O)O

Isomeric SMILES

C1CCC(C1)N(CC(CO)O)C(=O)C2=CC(=CC(=C2)Cl)OCCN(C3=CC=NC=C3)C(=O)O

InChI

InChI=1S/C23H28ClN3O6/c24-17-11-16(22(30)27(14-20(29)15-28)18-3-1-2-4-18)12-21(13-17)33-10-9-26(23(31)32)19-5-7-25-8-6-19/h5-8,11-13,18,20,28-29H,1-4,9-10,14-15H2,(H,31,32)