(2S)-2-[[(E)-3-(3-fluoranyl-4-methoxy-phenyl)prop-2-enoyl]amino]-N-propyl-propanamide

Systemtic Name: (2S)-2-[[(E)-3-(3-fluoranyl-4-methoxy-phenyl)prop-2-enoyl]amino]-N-propyl-propanamide Openeye Name: (2S)-2-[[(E)-3-(3-fluoro-4-methoxy-phenyl)prop-2-enoyl]amino]-N-propyl-propanamide CAS Name: (2S)-2-[[(E)-3-(3-fluoro-4-methoxyphenyl)-1-oxoprop-2-enyl]amino]-N-propylpropanamide IUPAC Name: (2S)-2-[[(E)-3-(3-fluoro-4-methoxyphenyl)prop-2-enoyl]amino]-N-propylpropanamide Traditional Name: (2S)-2-[[(E)-3-(3-fluoro-4-methoxy-phenyl)acryloyl]amino]-N-propyl-propionamide Formula: C16H21FN2O3 MolecularWeight: 308.347943

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCNC(=O)[C@H](C)NC(=O)/C=C/C1=CC(=C(C=C1)OC)F

InChI

InChI=1S/C16H21FN2O3/c1-4-9-18-16(21)11(2)19-15(20)8-6-12-5-7-14(22-3)13(17)10-12/h5-8,10-11H,4,9H2,1-3H3,(H,18,21)(H,19,20)/b8-6+/t11-/m0/s1