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

Systemtic Name: ethyl (2S)-2-[[(E)-2-benzamido-3-(4-fluorophenyl)prop-2-enoyl]amino]-4-methyl-pentanoate Openeye Name: ethyl (2S)-2-[[(E)-2-benzamido-3-(4-fluorophenyl)prop-2-enoyl]amino]-4-methyl-pentanoate CAS Name: (2S)-2-[[(E)-2-benzamido-3-(4-fluorophenyl)-1-oxoprop-2-enyl]amino]-4-methylpentanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-[[(E)-2-benzamido-3-(4-fluorophenyl)prop-2-enoyl]amino]-4-methylpentanoate Traditional Name: (2S)-2-[[(E)-2-benzamido-3-(4-fluorophenyl)acryloyl]amino]-4-methyl-valeric acid ethyl ester Formula: C24H27FN2O4 MolecularWeight: 426.480583

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27FN2O4/c1-4-31-24(30)21(14-16(2)3)27-23(29)20(15-17-10-12-19(25)13-11-17)26-22(28)18-8-6-5-7-9-18/h5-13,15-16,21H,4,14H2,1-3H3,(H,26,28)(H,27,29)/b20-15+/t21-/m0/s1