(E)-2-cyano-3-[3-methoxy-4-(3-methylbutoxy)phenyl]prop-2-enoic acid

Systemtic Name: (E)-2-cyano-3-[3-methoxy-4-(3-methylbutoxy)phenyl]prop-2-enoic acid Openeye Name: (E)-2-cyano-3-(4-isopentyloxy-3-methoxy-phenyl)prop-2-enoic acid CAS Name: (E)-2-cyano-3-[3-methoxy-4-(3-methylbutoxy)phenyl]-2-propenoic acid IUPAC Name: (E)-2-cyano-3-[3-methoxy-4-(3-methylbutoxy)phenyl]prop-2-enoic acid Traditional Name: (E)-2-cyano-3-(4-isoamoxy-3-methoxy-phenyl)acrylic acid Formula: C16H19NO4 MolecularWeight: 289.32636

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=C(C=C(C=C1)C=C(C#N)C(=O)O)OC

Isomeric SMILES

CC(C)CCOC1=C(C=C(C=C1)/C=C(\C#N)/C(=O)O)OC

InChI

InChI=1S/C16H19NO4/c1-11(2)6-7-21-14-5-4-12(9-15(14)20-3)8-13(10-17)16(18)19/h4-5,8-9,11H,6-7H2,1-3H3,(H,18,19)/b13-8+