methyl 2-[(3-chloranyl-4-fluoranyl-phenyl)-(phenylmethyl)amino]butanoate

Systemtic Name: methyl 2-[(3-chloranyl-4-fluoranyl-phenyl)-(phenylmethyl)amino]butanoate Openeye Name: methyl 2-(N-benzyl-3-chloro-4-fluoro-anilino)butanoate CAS Name: 2-(3-chloro-4-fluoro-N-(phenylmethyl)anilino)butanoic acid methyl ester IUPAC Name: methyl 2-(N-benzyl-3-chloro-4-fluoroanilino)butanoate Traditional Name: 2-(N-benzyl-3-chloro-4-fluoro-anilino)butyric acid methyl ester Formula: C18H19ClFNO2 MolecularWeight: 335.800363

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OC)N(CC1=CC=CC=C1)C2=CC(=C(C=C2)F)Cl

Isomeric SMILES

CCC(C(=O)OC)N(CC1=CC=CC=C1)C2=CC(=C(C=C2)F)Cl

InChI

InChI=1S/C18H19ClFNO2/c1-3-17(18(22)23-2)21(12-13-7-5-4-6-8-13)14-9-10-16(20)15(19)11-14/h4-11,17H,3,12H2,1-2H3