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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19NO4/c21-14-17(12-16-9-10-18(22)19(23)13-16)20(24)25-11-5-4-8-15-6-2-1-3-7-15/h1-3,6-7,9-10,12-13,22-23H,4-5,8,11H2/b17-12+