ethyl 2-cyano-5-(1,3-dioxolan-2-yl)-3-methyl-3-(4-methylphenyl)pentanoate

Systemtic Name: ethyl 2-cyano-5-(1,3-dioxolan-2-yl)-3-methyl-3-(4-methylphenyl)pentanoate Openeye Name: ethyl 2-cyano-5-(1,3-dioxolan-2-yl)-3-methyl-3-(p-tolyl)pentanoate CAS Name: 2-cyano-5-(1,3-dioxolan-2-yl)-3-methyl-3-(4-methylphenyl)pentanoic acid ethyl ester IUPAC Name: ethyl 2-cyano-5-(1,3-dioxolan-2-yl)-3-methyl-3-(4-methylphenyl)pentanoate Traditional Name: 2-cyano-5-(1,3-dioxolan-2-yl)-3-methyl-3-(p-tolyl)valeric acid ethyl ester Formula: C19H25NO4 MolecularWeight: 331.4061

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C#N)C(C)(CCC1OCCO1)C2=CC=C(C=C2)C

Isomeric SMILES

CCOC(=O)C(C#N)C(C)(CCC1OCCO1)C2=CC=C(C=C2)C

InChI

InChI=1S/C19H25NO4/c1-4-22-18(21)16(13-20)19(3,10-9-17-23-11-12-24-17)15-7-5-14(2)6-8-15/h5-8,16-17H,4,9-12H2,1-3H3