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

Systemtic Name: 1-phenylbutyl (E)-3-[3,4-bis(oxidanyl)phenyl]-2-cyano-prop-2-enoate Openeye Name: 1-phenylbutyl (E)-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enoate CAS Name: (E)-2-cyano-3-(3,4-dihydroxyphenyl)-2-propenoic acid 1-phenylbutyl ester IUPAC Name: 1-phenylbutyl (E)-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(3,4-dihydroxyphenyl)acrylic acid 1-phenylbutyl ester Formula: C20H19NO4 MolecularWeight: 337.36916

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=CC=C1)OC(=O)C(=CC2=CC(=C(C=C2)O)O)C#N

Isomeric SMILES

CCCC(C1=CC=CC=C1)OC(=O)/C(=C/C2=CC(=C(C=C2)O)O)/C#N

InChI

InChI=1S/C20H19NO4/c1-2-6-19(15-7-4-3-5-8-15)25-20(24)16(13-21)11-14-9-10-17(22)18(23)12-14/h3-5,7-12,19,22-23H,2,6H2,1H3/b16-11+