3,7-dimethylocta-1,6-dien-3-yl 3-oxidanylidene-2-(phenylmethyl)butanoate

Systemtic Name: 3,7-dimethylocta-1,6-dien-3-yl 3-oxidanylidene-2-(phenylmethyl)butanoate Openeye Name: (1,5-dimethyl-1-vinyl-hex-4-enyl) 2-benzyl-3-oxo-butanoate CAS Name: 3-oxo-2-(phenylmethyl)butanoic acid 3,7-dimethylocta-1,6-dien-3-yl ester IUPAC Name: 3,7-dimethylocta-1,6-dien-3-yl 2-benzyl-3-oxobutanoate Traditional Name: 2-benzyl-3-keto-butyric acid (1,5-dimethyl-1-vinyl-hex-4-enyl) ester Formula: C21H28O3 MolecularWeight: 328.44522

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCCC(C)(C=C)OC(=O)C(CC1=CC=CC=C1)C(=O)C)C

Isomeric SMILES

CC(=CCCC(C)(C=C)OC(=O)C(CC1=CC=CC=C1)C(=O)C)C

InChI

InChI=1S/C21H28O3/c1-6-21(5,14-10-11-16(2)3)24-20(23)19(17(4)22)15-18-12-8-7-9-13-18/h6-9,11-13,19H,1,10,14-15H2,2-5H3