ethyl 4-[5-[(E)-2-cyano-3-hexadecoxy-3-oxidanylidene-prop-1-enyl]furan-2-yl]benzoate

Systemtic Name: ethyl 4-[5-[(E)-2-cyano-3-hexadecoxy-3-oxidanylidene-prop-1-enyl]furan-2-yl]benzoate Openeye Name: ethyl 4-[5-[(E)-2-cyano-3-hexadecoxy-3-oxo-prop-1-enyl]-2-furyl]benzoate CAS Name: 4-[5-[(E)-2-cyano-3-hexadecoxy-3-oxoprop-1-enyl]-2-furanyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[5-[(E)-2-cyano-3-hexadecoxy-3-oxoprop-1-enyl]furan-2-yl]benzoate Traditional Name: 4-[5-[(E)-3-cetyloxy-2-cyano-3-keto-prop-1-enyl]-2-furyl]benzoic acid ethyl ester Formula: C33H45NO5 MolecularWeight: 535.7141

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(=O)C(=CC1=CC=C(O1)C2=CC=C(C=C2)C(=O)OCC)C#N

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(=O)/C(=C/C1=CC=C(O1)C2=CC=C(C=C2)C(=O)OCC)/C#N

InChI

InChI=1S/C33H45NO5/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-24-38-33(36)29(26-34)25-30-22-23-31(39-30)27-18-20-28(21-19-27)32(35)37-4-2/h18-23,25H,3-17,24H2,1-2H3/b29-25+