[1-[[2,5-bis(chloranyl)phenyl]amino]-1-oxidanylidene-propan-2-yl] 4-hexoxybenzoate

Systemtic Name: [1-[[2,5-bis(chloranyl)phenyl]amino]-1-oxidanylidene-propan-2-yl] 4-hexoxybenzoate Openeye Name: [2-(2,5-dichloroanilino)-1-methyl-2-oxo-ethyl] 4-hexoxybenzoate CAS Name: 4-hexoxybenzoic acid [1-(2,5-dichloroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2,5-dichloroanilino)-1-oxopropan-2-yl] 4-hexoxybenzoate Traditional Name: 4-hexoxybenzoic acid [2-(2,5-dichloroanilino)-2-keto-1-methyl-ethyl] ester Formula: C22H25Cl2NO4 MolecularWeight: 438.3442

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C(=O)OC(C)C(=O)NC2=C(C=CC(=C2)Cl)Cl

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C(=O)OC(C)C(=O)NC2=C(C=CC(=C2)Cl)Cl

InChI

InChI=1S/C22H25Cl2NO4/c1-3-4-5-6-13-28-18-10-7-16(8-11-18)22(27)29-15(2)21(26)25-20-14-17(23)9-12-19(20)24/h7-12,14-15H,3-6,13H2,1-2H3,(H,25,26)