3-methylbutyl (E)-3-phenylprop-2-enoate; 2-methylpropyl (E)-3-phenylprop-2-enoate

Systemtic Name: 3-methylbutyl (E)-3-phenylprop-2-enoate; 2-methylpropyl (E)-3-phenylprop-2-enoate Openeye Name: isobutyl (E)-3-phenylprop-2-enoate; isopentyl (E)-3-phenylprop-2-enoate CAS Name: (E)-3-phenyl-2-propenoic acid 3-methylbutyl ester; (E)-3-phenyl-2-propenoic acid 2-methylpropyl ester IUPAC Name: 3-methylbutyl (E)-3-phenylprop-2-enoate; 2-methylpropyl (E)-3-phenylprop-2-enoate Traditional Name: (E)-3-phenylacrylic acid isoamyl ester; (E)-3-phenylacrylic acid isobutyl ester Formula: C27H34O4 MolecularWeight: 422.55646

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18O2.C13H16O2/c1-12(2)10-11-16-14(15)9-8-13-6-4-3-5-7-13;1-11(2)10-15-13(14)9-8-12-6-4-3-5-7-12/h3-9,12H,10-11H2,1-2H3;3-9,11H,10H2,1-2H3/b2*9-8+