N-[4-[[(E)-3-(5-bromanyl-2-methoxy-phenyl)prop-2-enoyl]amino]phenyl]-4-tert-butyl-benzamide

Systemtic Name: N-[4-[[(E)-3-(5-bromanyl-2-methoxy-phenyl)prop-2-enoyl]amino]phenyl]-4-tert-butyl-benzamide Openeye Name: N-[4-[[(E)-3-(5-bromo-2-methoxy-phenyl)prop-2-enoyl]amino]phenyl]-4-tert-butyl-benzamide CAS Name: N-[4-[[(E)-3-(5-bromo-2-methoxyphenyl)-1-oxoprop-2-enyl]amino]phenyl]-4-tert-butylbenzamide IUPAC Name: N-[4-[[(E)-3-(5-bromo-2-methoxyphenyl)prop-2-enoyl]amino]phenyl]-4-tert-butylbenzamide Traditional Name: N-[4-[[(E)-3-(5-bromo-2-methoxy-phenyl)acryloyl]amino]phenyl]-4-tert-butyl-benzamide Formula: C27H27BrN2O3 MolecularWeight: 507.41888

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)NC(=O)C=CC3=C(C=CC(=C3)Br)OC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)NC(=O)/C=C/C3=C(C=CC(=C3)Br)OC

InChI

InChI=1S/C27H27BrN2O3/c1-27(2,3)20-8-5-18(6-9-20)26(32)30-23-13-11-22(12-14-23)29-25(31)16-7-19-17-21(28)10-15-24(19)33-4/h5-17H,1-4H3,(H,29,31)(H,30,32)/b16-7+