[4-(2-cyanoethyl)phenyl] 4-octoxybenzoate

Systemtic Name: [4-(2-cyanoethyl)phenyl] 4-octoxybenzoate Openeye Name: [4-(2-cyanoethyl)phenyl] 4-octoxybenzoate CAS Name: 4-octoxybenzoic acid [4-(2-cyanoethyl)phenyl] ester IUPAC Name: [4-(2-cyanoethyl)phenyl] 4-octoxybenzoate Traditional Name: 4-octoxybenzoic acid [4-(2-cyanoethyl)phenyl] ester Formula: C24H29NO3 MolecularWeight: 379.49196

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)CCC#N

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)CCC#N

InChI

InChI=1S/C24H29NO3/c1-2-3-4-5-6-7-19-27-22-16-12-21(13-17-22)24(26)28-23-14-10-20(11-15-23)9-8-18-25/h10-17H,2-9,19H2,1H3