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

Systemtic Name: 1-phenylpentyl (E)-3-[3,4-bis(oxidanyl)phenyl]-2-cyano-prop-2-enoate Openeye Name: 1-phenylpentyl (E)-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enoate CAS Name: (E)-2-cyano-3-(3,4-dihydroxyphenyl)-2-propenoic acid 1-phenylpentyl ester IUPAC Name: 1-phenylpentyl (E)-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(3,4-dihydroxyphenyl)acrylic acid 1-phenylpentyl ester Formula: C21H21NO4 MolecularWeight: 351.39574

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21NO4/c1-2-3-9-20(16-7-5-4-6-8-16)26-21(25)17(14-22)12-15-10-11-18(23)19(24)13-15/h4-8,10-13,20,23-24H,2-3,9H2,1H3/b17-12+