ethyl (2S)-2-[[(E)-2-benzamido-3-(4-fluorophenyl)prop-2-enoyl]amino]-3-methyl-butanoate

Systemtic Name: ethyl (2S)-2-[[(E)-2-benzamido-3-(4-fluorophenyl)prop-2-enoyl]amino]-3-methyl-butanoate Openeye Name: ethyl (2S)-2-[[(E)-2-benzamido-3-(4-fluorophenyl)prop-2-enoyl]amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(E)-2-benzamido-3-(4-fluorophenyl)-1-oxoprop-2-enyl]amino]-3-methylbutanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-[[(E)-2-benzamido-3-(4-fluorophenyl)prop-2-enoyl]amino]-3-methylbutanoate Traditional Name: (2S)-2-[[(E)-2-benzamido-3-(4-fluorophenyl)acryloyl]amino]-3-methyl-butyric acid ethyl ester Formula: C23H25FN2O4 MolecularWeight: 412.454003

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)[C@H](C(C)C)NC(=O)/C(=C\C1=CC=C(C=C1)F)/NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C23H25FN2O4/c1-4-30-23(29)20(15(2)3)26-22(28)19(14-16-10-12-18(24)13-11-16)25-21(27)17-8-6-5-7-9-17/h5-15,20H,4H2,1-3H3,(H,25,27)(H,26,28)/b19-14+/t20-/m0/s1