[(2E)-2-(phenylmethylidene)heptyl] 3-methylbutanoate

Systemtic Name: [(2E)-2-(phenylmethylidene)heptyl] 3-methylbutanoate Openeye Name: [(2E)-2-benzylideneheptyl] 3-methylbutanoate CAS Name: 3-methylbutanoic acid [(2E)-2-(phenylmethylene)heptyl] ester IUPAC Name: [(2E)-2-benzylideneheptyl] 3-methylbutanoate Traditional Name: 3-methylbutyric acid [(E)-2-amyl-3-phenyl-allyl] ester Formula: C19H28O2 MolecularWeight: 288.42442

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=CC1=CC=CC=C1)COC(=O)CC(C)C

Isomeric SMILES

CCCCC/C(=C\C1=CC=CC=C1)/COC(=O)CC(C)C

InChI

InChI=1S/C19H28O2/c1-4-5-7-12-18(14-17-10-8-6-9-11-17)15-21-19(20)13-16(2)3/h6,8-11,14,16H,4-5,7,12-13,15H2,1-3H3/b18-14+