methyl 3-[(3-chloranyl-5-ethoxy-4-propoxy-phenyl)carbonylamino]-4-fluoranyl-benzoate

Systemtic Name: methyl 3-[(3-chloranyl-5-ethoxy-4-propoxy-phenyl)carbonylamino]-4-fluoranyl-benzoate Openeye Name: methyl 3-[(3-chloro-5-ethoxy-4-propoxy-benzoyl)amino]-4-fluoro-benzoate CAS Name: 3-[[(3-chloro-5-ethoxy-4-propoxyphenyl)-oxomethyl]amino]-4-fluorobenzoic acid methyl ester IUPAC Name: methyl 3-[(3-chloro-5-ethoxy-4-propoxybenzoyl)amino]-4-fluorobenzoate Traditional Name: 3-[(3-chloro-5-ethoxy-4-propoxy-benzoyl)amino]-4-fluoro-benzoic acid methyl ester Formula: C20H21ClFNO5 MolecularWeight: 409.835843

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Cl)C(=O)NC2=C(C=CC(=C2)C(=O)OC)F)OCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Cl)C(=O)NC2=C(C=CC(=C2)C(=O)OC)F)OCC

InChI

InChI=1S/C20H21ClFNO5/c1-4-8-28-18-14(21)9-13(11-17(18)27-5-2)19(24)23-16-10-12(20(25)26-3)6-7-15(16)22/h6-7,9-11H,4-5,8H2,1-3H3,(H,23,24)