(5-cyano-2-fluoranyl-phenyl)methyl (3S)-3-[(2-chlorophenyl)carbonylamino]-3-phenyl-propanoate

Systemtic Name: (5-cyano-2-fluoranyl-phenyl)methyl (3S)-3-[(2-chlorophenyl)carbonylamino]-3-phenyl-propanoate Openeye Name: (5-cyano-2-fluoro-phenyl)methyl (3S)-3-[(2-chlorobenzoyl)amino]-3-phenyl-propanoate CAS Name: (3S)-3-[[(2-chlorophenyl)-oxomethyl]amino]-3-phenylpropanoic acid (5-cyano-2-fluorophenyl)methyl ester IUPAC Name: (5-cyano-2-fluorophenyl)methyl (3S)-3-[(2-chlorobenzoyl)amino]-3-phenylpropanoate Traditional Name: (3S)-3-[(2-chlorobenzoyl)amino]-3-phenyl-propionic acid (5-cyano-2-fluoro-benzyl) ester Formula: C24H18ClFN2O3 MolecularWeight: 436.862723

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC(=O)OCC2=C(C=CC(=C2)C#N)F)NC(=O)C3=CC=CC=C3Cl

Isomeric SMILES

C1=CC=C(C=C1)[C@H](CC(=O)OCC2=C(C=CC(=C2)C#N)F)NC(=O)C3=CC=CC=C3Cl

InChI

InChI=1S/C24H18ClFN2O3/c25-20-9-5-4-8-19(20)24(30)28-22(17-6-2-1-3-7-17)13-23(29)31-15-18-12-16(14-27)10-11-21(18)26/h1-12,22H,13,15H2,(H,28,30)/t22-/m0/s1