4-[2-[[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]amino]-2-oxidanylidene-ethoxy]-3-fluoranyl-benzoic acid

Systemtic Name: 4-[2-[[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]amino]-2-oxidanylidene-ethoxy]-3-fluoranyl-benzoic acid Openeye Name: 4-[2-[[1-[(3,4-dichlorophenyl)methyl]-4-piperidyl]amino]-2-oxo-ethoxy]-3-fluoro-benzoic acid CAS Name: 4-[2-[[1-[(3,4-dichlorophenyl)methyl]-4-piperidinyl]amino]-2-oxoethoxy]-3-fluorobenzoic acid IUPAC Name: 4-[2-[[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]amino]-2-oxoethoxy]-3-fluorobenzoic acid Traditional Name: 4-[2-[[1-(3,4-dichlorobenzyl)-4-piperidyl]amino]-2-keto-ethoxy]-3-fluoro-benzoic acid Formula: C21H21Cl2FN2O4 MolecularWeight: 455.306843

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC(=O)COC2=C(C=C(C=C2)C(=O)O)F)CC3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

C1CN(CCC1NC(=O)COC2=C(C=C(C=C2)C(=O)O)F)CC3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C21H21Cl2FN2O4/c22-16-3-1-13(9-17(16)23)11-26-7-5-15(6-8-26)25-20(27)12-30-19-4-2-14(21(28)29)10-18(19)24/h1-4,9-10,15H,5-8,11-12H2,(H,25,27)(H,28,29)