(E)-3-[3-bromanyl-5-ethoxy-4-(3-methylbutoxy)phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[3-bromanyl-5-ethoxy-4-(3-methylbutoxy)phenyl]prop-2-enoic acid Openeye Name: (E)-3-(3-bromo-5-ethoxy-4-isopentyloxy-phenyl)prop-2-enoic acid CAS Name: (E)-3-[3-bromo-5-ethoxy-4-(3-methylbutoxy)phenyl]-2-propenoic acid IUPAC Name: (E)-3-[3-bromo-5-ethoxy-4-(3-methylbutoxy)phenyl]prop-2-enoic acid Traditional Name: (E)-3-(3-bromo-5-ethoxy-4-isoamoxy-phenyl)acrylic acid Formula: C16H21BrO4 MolecularWeight: 357.23954

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=CC(=O)O)Br)OCCC(C)C

Isomeric SMILES

CCOC1=C(C(=CC(=C1)/C=C/C(=O)O)Br)OCCC(C)C

InChI

InChI=1S/C16H21BrO4/c1-4-20-14-10-12(5-6-15(18)19)9-13(17)16(14)21-8-7-11(2)3/h5-6,9-11H,4,7-8H2,1-3H3,(H,18,19)/b6-5+