tert-butyl 4-[[2,2-bis(chloranyl)ethanoyl-[2-[3-[2,6-bis(chloranyl)phenyl]-1,2-oxazol-5-yl]pyridin-4-yl]amino]methyl]benzoate

Systemtic Name: tert-butyl 4-[[2,2-bis(chloranyl)ethanoyl-[2-[3-[2,6-bis(chloranyl)phenyl]-1,2-oxazol-5-yl]pyridin-4-yl]amino]methyl]benzoate Openeye Name: tert-butyl 4-[[(2,2-dichloroacetyl)-[2-[3-(2,6-dichlorophenyl)isoxazol-5-yl]-4-pyridyl]amino]methyl]benzoate CAS Name: 4-[[(2,2-dichloro-1-oxoethyl)-[2-[3-(2,6-dichlorophenyl)-5-isoxazolyl]-4-pyridinyl]amino]methyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[(2,2-dichloroacetyl)-[2-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]pyridin-4-yl]amino]methyl]benzoate Traditional Name: 4-[[(2,2-dichloroacetyl)-[2-[3-(2,6-dichlorophenyl)isoxazol-5-yl]-4-pyridyl]amino]methyl]benzoic acid tert-butyl ester Formula: C28H23Cl4N3O4 MolecularWeight: 607.31192

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC=C(C=C1)CN(C2=CC(=NC=C2)C3=CC(=NO3)C4=C(C=CC=C4Cl)Cl)C(=O)C(Cl)Cl

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC=C(C=C1)CN(C2=CC(=NC=C2)C3=CC(=NO3)C4=C(C=CC=C4Cl)Cl)C(=O)C(Cl)Cl

InChI

InChI=1S/C28H23Cl4N3O4/c1-28(2,3)38-27(37)17-9-7-16(8-10-17)15-35(26(36)25(31)32)18-11-12-33-21(13-18)23-14-22(34-39-23)24-19(29)5-4-6-20(24)30/h4-14,25H,15H2,1-3H3