2-ethylhexyl 4-[2-[[2,4-bis(fluoranyl)phenyl]amino]-2-oxidanylidene-ethyl]-1,4-diazepane-1-carboxylate

Systemtic Name: 2-ethylhexyl 4-[2-[[2,4-bis(fluoranyl)phenyl]amino]-2-oxidanylidene-ethyl]-1,4-diazepane-1-carboxylate Openeye Name: 2-ethylhexyl 4-[2-(2,4-difluoroanilino)-2-oxo-ethyl]-1,4-diazepane-1-carboxylate CAS Name: 4-[2-(2,4-difluoroanilino)-2-oxoethyl]-1,4-diazepane-1-carboxylic acid 2-ethylhexyl ester IUPAC Name: 2-ethylhexyl 4-[2-(2,4-difluoroanilino)-2-oxoethyl]-1,4-diazepane-1-carboxylate Traditional Name: 4-[2-(2,4-difluoroanilino)-2-keto-ethyl]-1,4-diazepane-1-carboxylic acid 2-ethylhexyl ester Formula: C22H33F2N3O3 MolecularWeight: 425.512526

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)COC(=O)N1CCCN(CC1)CC(=O)NC2=C(C=C(C=C2)F)F

Isomeric SMILES

CCCCC(CC)COC(=O)N1CCCN(CC1)CC(=O)NC2=C(C=C(C=C2)F)F

InChI

InChI=1S/C22H33F2N3O3/c1-3-5-7-17(4-2)16-30-22(29)27-11-6-10-26(12-13-27)15-21(28)25-20-9-8-18(23)14-19(20)24/h8-9,14,17H,3-7,10-13,15-16H2,1-2H3,(H,25,28)