3-phenylpropyl (E)-3-[3,4-bis(oxidanyl)phenyl]-2-cyano-prop-2-enoate

Systemtic Name: 3-phenylpropyl (E)-3-[3,4-bis(oxidanyl)phenyl]-2-cyano-prop-2-enoate Openeye Name: 3-phenylpropyl (E)-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enoate CAS Name: (E)-2-cyano-3-(3,4-dihydroxyphenyl)-2-propenoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl (E)-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(3,4-dihydroxyphenyl)acrylic acid 3-phenylpropyl ester Formula: C19H17NO4 MolecularWeight: 323.34258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCOC(=O)C(=CC2=CC(=C(C=C2)O)O)C#N

Isomeric SMILES

C1=CC=C(C=C1)CCCOC(=O)/C(=C/C2=CC(=C(C=C2)O)O)/C#N

InChI

InChI=1S/C19H17NO4/c20-13-16(11-15-8-9-17(21)18(22)12-15)19(23)24-10-4-7-14-5-2-1-3-6-14/h1-3,5-6,8-9,11-12,21-22H,4,7,10H2/b16-11+