(4-bromanyl-2,6-dimethyl-phenyl) (E)-3-[3-methoxy-4-(3-methylbutoxy)phenyl]prop-2-enoate

Systemtic Name: (4-bromanyl-2,6-dimethyl-phenyl) (E)-3-[3-methoxy-4-(3-methylbutoxy)phenyl]prop-2-enoate Openeye Name: (4-bromo-2,6-dimethyl-phenyl) (E)-3-(4-isopentyloxy-3-methoxy-phenyl)prop-2-enoate CAS Name: (E)-3-[3-methoxy-4-(3-methylbutoxy)phenyl]-2-propenoic acid (4-bromo-2,6-dimethylphenyl) ester IUPAC Name: (4-bromo-2,6-dimethylphenyl) (E)-3-[3-methoxy-4-(3-methylbutoxy)phenyl]prop-2-enoate Traditional Name: (E)-3-(4-isoamoxy-3-methoxy-phenyl)acrylic acid (4-bromo-2,6-dimethyl-phenyl) ester Formula: C23H27BrO4 MolecularWeight: 447.36208

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC(=O)C=CC2=CC(=C(C=C2)OCCC(C)C)OC)C)Br

Isomeric SMILES

CC1=CC(=CC(=C1OC(=O)/C=C/C2=CC(=C(C=C2)OCCC(C)C)OC)C)Br

InChI

InChI=1S/C23H27BrO4/c1-15(2)10-11-27-20-8-6-18(14-21(20)26-5)7-9-22(25)28-23-16(3)12-19(24)13-17(23)4/h6-9,12-15H,10-11H2,1-5H3/b9-7+