(4-propanoylphenyl) (2S)-2-[(2-fluorophenyl)carbonylamino]-3-methyl-butanoate

Systemtic Name: (4-propanoylphenyl) (2S)-2-[(2-fluorophenyl)carbonylamino]-3-methyl-butanoate Openeye Name: (4-propanoylphenyl) (2S)-2-[(2-fluorobenzoyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(2-fluorophenyl)-oxomethyl]amino]-3-methylbutanoic acid [4-(1-oxopropyl)phenyl] ester IUPAC Name: (4-propanoylphenyl) (2S)-2-[(2-fluorobenzoyl)amino]-3-methylbutanoate Traditional Name: (2S)-2-[(2-fluorobenzoyl)amino]-3-methyl-butyric acid (4-propionylphenyl) ester Formula: C21H22FNO4 MolecularWeight: 371.402083

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC=C(C=C1)OC(=O)C(C(C)C)NC(=O)C2=CC=CC=C2F

Isomeric SMILES

CCC(=O)C1=CC=C(C=C1)OC(=O)[C@H](C(C)C)NC(=O)C2=CC=CC=C2F

InChI

InChI=1S/C21H22FNO4/c1-4-18(24)14-9-11-15(12-10-14)27-21(26)19(13(2)3)23-20(25)16-7-5-6-8-17(16)22/h5-13,19H,4H2,1-3H3,(H,23,25)/t19-/m0/s1