(phenylmethyl) 4-[3-(4-butoxyphenyl)-2-cyano-prop-2-enoyl]oxybenzoate

Systemtic Name: (phenylmethyl) 4-[3-(4-butoxyphenyl)-2-cyano-prop-2-enoyl]oxybenzoate Openeye Name: benzyl 4-[3-(4-butoxyphenyl)-2-cyano-prop-2-enoyl]oxybenzoate CAS Name: 4-[3-(4-butoxyphenyl)-2-cyano-1-oxoprop-2-enoxy]benzoic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[3-(4-butoxyphenyl)-2-cyanoprop-2-enoyl]oxybenzoate Traditional Name: 4-[3-(4-butoxyphenyl)-2-cyano-acryloyl]oxybenzoic acid benzyl ester Formula: C28H25NO5 MolecularWeight: 455.5018

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C=C(C#N)C(=O)OC2=CC=C(C=C2)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C=C(C#N)C(=O)OC2=CC=C(C=C2)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C28H25NO5/c1-2-3-17-32-25-13-9-21(10-14-25)18-24(19-29)28(31)34-26-15-11-23(12-16-26)27(30)33-20-22-7-5-4-6-8-22/h4-16,18H,2-3,17,20H2,1H3