ethyl 4-[[(2S)-2-[(2-fluorophenyl)carbonylamino]-3-methyl-butanoyl]amino]benzoate

Systemtic Name: ethyl 4-[[(2S)-2-[(2-fluorophenyl)carbonylamino]-3-methyl-butanoyl]amino]benzoate Openeye Name: ethyl 4-[[(2S)-2-[(2-fluorobenzoyl)amino]-3-methyl-butanoyl]amino]benzoate CAS Name: 4-[[(2S)-2-[[(2-fluorophenyl)-oxomethyl]amino]-3-methyl-1-oxobutyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(2S)-2-[(2-fluorobenzoyl)amino]-3-methylbutanoyl]amino]benzoate Traditional Name: 4-[[(2S)-2-[(2-fluorobenzoyl)amino]-3-methyl-butanoyl]amino]benzoic acid ethyl ester Formula: C21H23FN2O4 MolecularWeight: 386.416723

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C(C(C)C)NC(=O)C2=CC=CC=C2F

Isomeric SMILES

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

InChI

InChI=1S/C21H23FN2O4/c1-4-28-21(27)14-9-11-15(12-10-14)23-20(26)18(13(2)3)24-19(25)16-7-5-6-8-17(16)22/h5-13,18H,4H2,1-3H3,(H,23,26)(H,24,25)/t18-/m0/s1