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

Systemtic Name: methyl 2-[(3-chloranyl-4-fluoranyl-phenyl)-(phenylmethyl)amino]pentanoate Openeye Name: methyl 2-(N-benzyl-3-chloro-4-fluoro-anilino)pentanoate CAS Name: 2-(3-chloro-4-fluoro-N-(phenylmethyl)anilino)pentanoic acid methyl ester IUPAC Name: methyl 2-(N-benzyl-3-chloro-4-fluoroanilino)pentanoate Traditional Name: 2-(N-benzyl-3-chloro-4-fluoro-anilino)valeric acid methyl ester Formula: C19H21ClFNO2 MolecularWeight: 349.826943

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21ClFNO2/c1-3-7-18(19(23)24-2)22(13-14-8-5-4-6-9-14)15-10-11-17(21)16(20)12-15/h4-6,8-12,18H,3,7,13H2,1-2H3