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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23BrN2O3/c1-21(2,3)24-20(26)15-6-5-7-17(13-15)23-19(25)11-8-14-12-16(22)9-10-18(14)27-4/h5-13H,1-4H3,(H,23,25)(H,24,26)/b11-8+