(2R)-2-[[(E)-3-(2-bromanyl-4-methyl-phenyl)prop-2-enoyl]amino]-N-propyl-propanamide

Systemtic Name: (2R)-2-[[(E)-3-(2-bromanyl-4-methyl-phenyl)prop-2-enoyl]amino]-N-propyl-propanamide Openeye Name: (2R)-2-[[(E)-3-(2-bromo-4-methyl-phenyl)prop-2-enoyl]amino]-N-propyl-propanamide CAS Name: (2R)-2-[[(E)-3-(2-bromo-4-methylphenyl)-1-oxoprop-2-enyl]amino]-N-propylpropanamide IUPAC Name: (2R)-2-[[(E)-3-(2-bromo-4-methylphenyl)prop-2-enoyl]amino]-N-propylpropanamide Traditional Name: (2R)-2-[[(E)-3-(2-bromo-4-methyl-phenyl)acryloyl]amino]-N-propyl-propionamide Formula: C16H21BrN2O2 MolecularWeight: 353.25414

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)NC(=O)C=CC1=C(C=C(C=C1)C)Br

Isomeric SMILES

CCCNC(=O)[C@@H](C)NC(=O)/C=C/C1=C(C=C(C=C1)C)Br

InChI

InChI=1S/C16H21BrN2O2/c1-4-9-18-16(21)12(3)19-15(20)8-7-13-6-5-11(2)10-14(13)17/h5-8,10,12H,4,9H2,1-3H3,(H,18,21)(H,19,20)/b8-7+/t12-/m1/s1