[2-[[2-chloranyl-6-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl] 4-pentoxybenzoate

Systemtic Name: [2-[[2-chloranyl-6-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl] 4-pentoxybenzoate Openeye Name: [2-[2-chloro-6-(trifluoromethyl)anilino]-2-oxo-ethyl] 4-pentoxybenzoate CAS Name: 4-pentoxybenzoic acid [2-[2-chloro-6-(trifluoromethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-chloro-6-(trifluoromethyl)anilino]-2-oxoethyl] 4-pentoxybenzoate Traditional Name: 4-amoxybenzoic acid [2-[2-chloro-6-(trifluoromethyl)anilino]-2-keto-ethyl] ester Formula: C21H21ClF3NO4 MolecularWeight: 443.84395

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C(=O)OCC(=O)NC2=C(C=CC=C2Cl)C(F)(F)F

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C(=O)OCC(=O)NC2=C(C=CC=C2Cl)C(F)(F)F

InChI

InChI=1S/C21H21ClF3NO4/c1-2-3-4-12-29-15-10-8-14(9-11-15)20(28)30-13-18(27)26-19-16(21(23,24)25)6-5-7-17(19)22/h5-11H,2-4,12-13H2,1H3,(H,26,27)