methyl (E)-4-[4-methoxy-2-(3-oxidanylidene-3-phenylselanyl-propyl)phenyl]but-2-enoate

Systemtic Name: methyl (E)-4-[4-methoxy-2-(3-oxidanylidene-3-phenylselanyl-propyl)phenyl]but-2-enoate Openeye Name: methyl (E)-4-[4-methoxy-2-(3-oxo-3-phenylselanyl-propyl)phenyl]but-2-enoate CAS Name: (E)-4-[4-methoxy-2-[3-oxo-3-(phenylseleno)propyl]phenyl]-2-butenoic acid methyl ester IUPAC Name: methyl (E)-4-[4-methoxy-2-(3-oxo-3-phenylselanylpropyl)phenyl]but-2-enoate Traditional Name: (E)-4-[2-[3-keto-3-(phenylseleno)propyl]-4-methoxy-phenyl]but-2-enoic acid methyl ester Formula: C21H22O4Se MolecularWeight: 417.35698

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)CC=CC(=O)OC)CCC(=O)[Se]C2=CC=CC=C2

Isomeric SMILES

COC1=CC(=C(C=C1)C/C=C/C(=O)OC)CCC(=O)[Se]C2=CC=CC=C2

InChI

InChI=1S/C21H22O4Se/c1-24-18-13-11-16(7-6-10-20(22)25-2)17(15-18)12-14-21(23)26-19-8-4-3-5-9-19/h3-6,8-11,13,15H,7,12,14H2,1-2H3/b10-6+