3-[[(E)-3-(5-bromanyl-2-methoxy-phenyl)prop-2-enoyl]amino]-N-(2-methylpropyl)benzamide

Systemtic Name: 3-[[(E)-3-(5-bromanyl-2-methoxy-phenyl)prop-2-enoyl]amino]-N-(2-methylpropyl)benzamide Openeye Name: 3-[[(E)-3-(5-bromo-2-methoxy-phenyl)prop-2-enoyl]amino]-N-isobutyl-benzamide CAS Name: 3-[[(E)-3-(5-bromo-2-methoxyphenyl)-1-oxoprop-2-enyl]amino]-N-(2-methylpropyl)benzamide IUPAC Name: 3-[[(E)-3-(5-bromo-2-methoxyphenyl)prop-2-enoyl]amino]-N-(2-methylpropyl)benzamide Traditional Name: 3-[[(E)-3-(5-bromo-2-methoxy-phenyl)acryloyl]amino]-N-isobutyl-benzamide Formula: C21H23BrN2O3 MolecularWeight: 431.32292

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C1=CC(=CC=C1)NC(=O)C=CC2=C(C=CC(=C2)Br)OC

Isomeric SMILES

CC(C)CNC(=O)C1=CC(=CC=C1)NC(=O)/C=C/C2=C(C=CC(=C2)Br)OC

InChI

InChI=1S/C21H23BrN2O3/c1-14(2)13-23-21(26)16-5-4-6-18(12-16)24-20(25)10-7-15-11-17(22)8-9-19(15)27-3/h4-12,14H,13H2,1-3H3,(H,23,26)(H,24,25)/b10-7+