(E)-3-(3-bromanyl-5-methoxy-4-propoxy-phenyl)-1-[3-(2-chloroethyl)-4-oxidanyl-phenyl]prop-2-en-1-one

Systemtic Name: (E)-3-(3-bromanyl-5-methoxy-4-propoxy-phenyl)-1-[3-(2-chloroethyl)-4-oxidanyl-phenyl]prop-2-en-1-one Openeye Name: (E)-3-(3-bromo-5-methoxy-4-propoxy-phenyl)-1-[3-(2-chloroethyl)-4-hydroxy-phenyl]prop-2-en-1-one CAS Name: (E)-3-(3-bromo-5-methoxy-4-propoxyphenyl)-1-[3-(2-chloroethyl)-4-hydroxyphenyl]-2-propen-1-one IUPAC Name: (E)-3-(3-bromo-5-methoxy-4-propoxyphenyl)-1-[3-(2-chloroethyl)-4-hydroxyphenyl]prop-2-en-1-one Traditional Name: (E)-3-(3-bromo-5-methoxy-4-propoxy-phenyl)-1-[3-(2-chloroethyl)-4-hydroxy-phenyl]prop-2-en-1-one Formula: C21H22BrClO4 MolecularWeight: 453.75398

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Br)C=CC(=O)C2=CC(=C(C=C2)O)CCCl)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Br)/C=C/C(=O)C2=CC(=C(C=C2)O)CCCl)OC

InChI

InChI=1S/C21H22BrClO4/c1-3-10-27-21-17(22)11-14(12-20(21)26-2)4-6-18(24)15-5-7-19(25)16(13-15)8-9-23/h4-7,11-13,25H,3,8-10H2,1-2H3/b6-4+