4-[5-chloranyl-2-[2-[4-[(4-fluorophenyl)methyl]-2,5-dimethyl-piperazin-1-yl]-2-oxidanylidene-ethoxy]phenoxy]pyridine-2-carboxylic acid

Systemtic Name: 4-[5-chloranyl-2-[2-[4-[(4-fluorophenyl)methyl]-2,5-dimethyl-piperazin-1-yl]-2-oxidanylidene-ethoxy]phenoxy]pyridine-2-carboxylic acid Openeye Name: 4-[5-chloro-2-[2-[4-[(4-fluorophenyl)methyl]-2,5-dimethyl-piperazin-1-yl]-2-oxo-ethoxy]phenoxy]pyridine-2-carboxylic acid CAS Name: 4-[5-chloro-2-[2-[4-[(4-fluorophenyl)methyl]-2,5-dimethyl-1-piperazinyl]-2-oxoethoxy]phenoxy]-2-pyridinecarboxylic acid IUPAC Name: 4-[5-chloro-2-[2-[4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]-2-oxoethoxy]phenoxy]pyridine-2-carboxylic acid Traditional Name: 4-[5-chloro-2-[2-[4-(4-fluorobenzyl)-2,5-dimethyl-piperazino]-2-keto-ethoxy]phenoxy]picolinic acid Formula: C27H27ClFN3O5 MolecularWeight: 527.971783

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(C(CN1C(=O)COC2=C(C=C(C=C2)Cl)OC3=CC(=NC=C3)C(=O)O)C)CC4=CC=C(C=C4)F

Isomeric SMILES

CC1CN(C(CN1C(=O)COC2=C(C=C(C=C2)Cl)OC3=CC(=NC=C3)C(=O)O)C)CC4=CC=C(C=C4)F

InChI

InChI=1S/C27H27ClFN3O5/c1-17-14-32(18(2)13-31(17)15-19-3-6-21(29)7-4-19)26(33)16-36-24-8-5-20(28)11-25(24)37-22-9-10-30-23(12-22)27(34)35/h3-12,17-18H,13-16H2,1-2H3,(H,34,35)