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

Systemtic Name: 3-methylbutyl (E)-3-[3,4-bis(oxidanyl)phenyl]prop-2-enoate Openeye Name: isopentyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate CAS Name: (E)-3-(3,4-dihydroxyphenyl)-2-propenoic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate Traditional Name: (E)-3-(3,4-dihydroxyphenyl)acrylic acid isoamyl ester Formula: C14H18O4 MolecularWeight: 250.29032

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC(=O)C=CC1=CC(=C(C=C1)O)O

Isomeric SMILES

CC(C)CCOC(=O)/C=C/C1=CC(=C(C=C1)O)O

InChI

InChI=1S/C14H18O4/c1-10(2)7-8-18-14(17)6-4-11-3-5-12(15)13(16)9-11/h3-6,9-10,15-16H,7-8H2,1-2H3/b6-4+