propan-2-yl (E)-3-(2-butoxyphenyl)-2-cyano-prop-2-enoate

Systemtic Name: propan-2-yl (E)-3-(2-butoxyphenyl)-2-cyano-prop-2-enoate Openeye Name: isopropyl (E)-3-(2-butoxyphenyl)-2-cyano-prop-2-enoate CAS Name: (E)-3-(2-butoxyphenyl)-2-cyano-2-propenoic acid propan-2-yl ester IUPAC Name: propan-2-yl (E)-3-(2-butoxyphenyl)-2-cyanoprop-2-enoate Traditional Name: (E)-3-(2-butoxyphenyl)-2-cyano-acrylic acid isopropyl ester Formula: C17H21NO3 MolecularWeight: 287.35354

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC=C1C=C(C#N)C(=O)OC(C)C

Isomeric SMILES

CCCCOC1=CC=CC=C1/C=C(\C#N)/C(=O)OC(C)C

InChI

InChI=1S/C17H21NO3/c1-4-5-10-20-16-9-7-6-8-14(16)11-15(12-18)17(19)21-13(2)3/h6-9,11,13H,4-5,10H2,1-3H3/b15-11+