2-[[(E)-3-(3-fluoranyl-4-methoxy-phenyl)prop-2-enoyl]amino]-3-methyl-butanoic acid

Systemtic Name: 2-[[(E)-3-(3-fluoranyl-4-methoxy-phenyl)prop-2-enoyl]amino]-3-methyl-butanoic acid Openeye Name: 2-[[(E)-3-(3-fluoro-4-methoxy-phenyl)prop-2-enoyl]amino]-3-methyl-butanoic acid CAS Name: 2-[[(E)-3-(3-fluoro-4-methoxyphenyl)-1-oxoprop-2-enyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[[(E)-3-(3-fluoro-4-methoxyphenyl)prop-2-enoyl]amino]-3-methylbutanoic acid Traditional Name: 2-[[(E)-3-(3-fluoro-4-methoxy-phenyl)acryloyl]amino]-3-methyl-butyric acid Formula: C15H18FNO4 MolecularWeight: 295.306123

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)C(C(=O)O)NC(=O)/C=C/C1=CC(=C(C=C1)OC)F

InChI

InChI=1S/C15H18FNO4/c1-9(2)14(15(19)20)17-13(18)7-5-10-4-6-12(21-3)11(16)8-10/h4-9,14H,1-3H3,(H,17,18)(H,19,20)/b7-5+