ethyl (3R)-3-[(3-fluorophenyl)-(phenylmethyl)amino]-4-phenyl-pentanoate

Systemtic Name: ethyl (3R)-3-[(3-fluorophenyl)-(phenylmethyl)amino]-4-phenyl-pentanoate Openeye Name: ethyl (3R)-3-(N-benzyl-3-fluoro-anilino)-4-phenyl-pentanoate CAS Name: (3R)-3-(3-fluoro-N-(phenylmethyl)anilino)-4-phenylpentanoic acid ethyl ester IUPAC Name: ethyl (3R)-3-(N-benzyl-3-fluoroanilino)-4-phenylpentanoate Traditional Name: (3R)-3-(N-benzyl-3-fluoro-anilino)-4-phenyl-valeric acid ethyl ester Formula: C26H28FNO2 MolecularWeight: 405.504423

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C(C)C1=CC=CC=C1)N(CC2=CC=CC=C2)C3=CC(=CC=C3)F

Isomeric SMILES

CCOC(=O)C[C@H](C(C)C1=CC=CC=C1)N(CC2=CC=CC=C2)C3=CC(=CC=C3)F

InChI

InChI=1S/C26H28FNO2/c1-3-30-26(29)18-25(20(2)22-13-8-5-9-14-22)28(19-21-11-6-4-7-12-21)24-16-10-15-23(27)17-24/h4-17,20,25H,3,18-19H2,1-2H3/t20?,25-/m1/s1