3-methylbutyl (Z)-3-cyano-3-(3-ethoxyphenyl)prop-2-enoate

Systemtic Name: 3-methylbutyl (Z)-3-cyano-3-(3-ethoxyphenyl)prop-2-enoate Openeye Name: isopentyl (Z)-3-cyano-3-(3-ethoxyphenyl)prop-2-enoate CAS Name: (Z)-3-cyano-3-(3-ethoxyphenyl)-2-propenoic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl (Z)-3-cyano-3-(3-ethoxyphenyl)prop-2-enoate Traditional Name: (Z)-3-cyano-3-m-phenetyl-acrylic acid isoamyl ester Formula: C17H21NO3 MolecularWeight: 287.35354

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C(=CC(=O)OCCC(C)C)C#N

Isomeric SMILES

CCOC1=CC=CC(=C1)/C(=C/C(=O)OCCC(C)C)/C#N

InChI

InChI=1S/C17H21NO3/c1-4-20-16-7-5-6-14(10-16)15(12-18)11-17(19)21-9-8-13(2)3/h5-7,10-11,13H,4,8-9H2,1-3H3/b15-11+