ethyl 3-[3-(2-cyanoethyl)-4-decoxy-phenyl]carbonylbenzoate

Systemtic Name: ethyl 3-[3-(2-cyanoethyl)-4-decoxy-phenyl]carbonylbenzoate Openeye Name: ethyl 3-[3-(2-cyanoethyl)-4-decoxy-benzoyl]benzoate CAS Name: 3-[[3-(2-cyanoethyl)-4-decoxyphenyl]-oxomethyl]benzoic acid ethyl ester IUPAC Name: ethyl 3-[3-(2-cyanoethyl)-4-decoxybenzoyl]benzoate Traditional Name: 3-[3-(2-cyanoethyl)-4-decoxy-benzoyl]benzoic acid ethyl ester Formula: C29H37NO4 MolecularWeight: 463.60838

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=C(C=C(C=C1)C(=O)C2=CC(=CC=C2)C(=O)OCC)CCC#N

Isomeric SMILES

CCCCCCCCCCOC1=C(C=C(C=C1)C(=O)C2=CC(=CC=C2)C(=O)OCC)CCC#N

InChI

InChI=1S/C29H37NO4/c1-3-5-6-7-8-9-10-11-20-34-27-18-17-25(21-23(27)16-13-19-30)28(31)24-14-12-15-26(22-24)29(32)33-4-2/h12,14-15,17-18,21-22H,3-11,13,16,20H2,1-2H3