methyl 2-[[(3-chloranyl-4-fluoranyl-phenyl)carbamoyl-pentyl-amino]methyl]-1,3-oxazole-4-carboxylate

Systemtic Name: methyl 2-[[(3-chloranyl-4-fluoranyl-phenyl)carbamoyl-pentyl-amino]methyl]-1,3-oxazole-4-carboxylate Openeye Name: methyl 2-[[(3-chloro-4-fluoro-phenyl)carbamoyl-pentyl-amino]methyl]oxazole-4-carboxylate CAS Name: 2-[[[(3-chloro-4-fluoroanilino)-oxomethyl]-pentylamino]methyl]-4-oxazolecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(3-chloro-4-fluorophenyl)carbamoyl-pentylamino]methyl]-1,3-oxazole-4-carboxylate Traditional Name: 2-[[amyl-[(3-chloro-4-fluoro-phenyl)carbamoyl]amino]methyl]oxazole-4-carboxylic acid methyl ester Formula: C18H21ClFN3O4 MolecularWeight: 397.828443

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(CC1=NC(=CO1)C(=O)OC)C(=O)NC2=CC(=C(C=C2)F)Cl

Isomeric SMILES

CCCCCN(CC1=NC(=CO1)C(=O)OC)C(=O)NC2=CC(=C(C=C2)F)Cl

InChI

InChI=1S/C18H21ClFN3O4/c1-3-4-5-8-23(10-16-22-15(11-27-16)17(24)26-2)18(25)21-12-6-7-14(20)13(19)9-12/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,21,25)