[4-bromanyl-2-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]phenyl] morpholine-4-carboxylate

Systemtic Name: [4-bromanyl-2-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]phenyl] morpholine-4-carboxylate Openeye Name: [4-bromo-2-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]phenyl] morpholine-4-carboxylate CAS Name: 4-morpholinecarboxylic acid [4-bromo-2-[(E)-3-(3,4-dimethoxyphenyl)-1-oxoprop-2-enyl]phenyl] ester IUPAC Name: [4-bromo-2-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]phenyl] morpholine-4-carboxylate Traditional Name: morpholine-4-carboxylic acid [4-bromo-2-[(E)-3-(3,4-dimethoxyphenyl)acryloyl]phenyl] ester Formula: C22H22BrNO6 MolecularWeight: 476.31718

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)C2=C(C=CC(=C2)Br)OC(=O)N3CCOCC3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C(=O)C2=C(C=CC(=C2)Br)OC(=O)N3CCOCC3)OC

InChI

InChI=1S/C22H22BrNO6/c1-27-20-7-4-15(13-21(20)28-2)3-6-18(25)17-14-16(23)5-8-19(17)30-22(26)24-9-11-29-12-10-24/h3-8,13-14H,9-12H2,1-2H3/b6-3+