[1-[(3-fluoranyl-4-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] (2S)-2-benzamidopropanoate

Systemtic Name: [1-[(3-fluoranyl-4-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] (2S)-2-benzamidopropanoate Openeye Name: [2-(3-fluoro-4-methyl-anilino)-1-methyl-2-oxo-ethyl] (2S)-2-benzamidopropanoate CAS Name: (2S)-2-benzamidopropanoic acid [1-(3-fluoro-4-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-fluoro-4-methylanilino)-1-oxopropan-2-yl] (2S)-2-benzamidopropanoate Traditional Name: (2S)-2-benzamidopropionic acid [2-(3-fluoro-4-methyl-anilino)-2-keto-1-methyl-ethyl] ester Formula: C20H21FN2O4 MolecularWeight: 372.390143

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C(C)OC(=O)C(C)NC(=O)C2=CC=CC=C2)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C(C)OC(=O)[C@H](C)NC(=O)C2=CC=CC=C2)F

InChI

InChI=1S/C20H21FN2O4/c1-12-9-10-16(11-17(12)21)23-18(24)14(3)27-20(26)13(2)22-19(25)15-7-5-4-6-8-15/h4-11,13-14H,1-3H3,(H,22,25)(H,23,24)/t13-,14?/m0/s1