[1-[4-(3-cyanophenyl)phenoxy]-4-pyridin-3-yl-butan-2-yl] benzoate

Systemtic Name: [1-[4-(3-cyanophenyl)phenoxy]-4-pyridin-3-yl-butan-2-yl] benzoate Openeye Name: [1-[[4-(3-cyanophenyl)phenoxy]methyl]-3-(3-pyridyl)propyl] benzoate CAS Name: benzoic acid [1-[4-(3-cyanophenyl)phenoxy]-4-(3-pyridinyl)butan-2-yl] ester IUPAC Name: [1-[4-(3-cyanophenyl)phenoxy]-4-pyridin-3-ylbutan-2-yl] benzoate Traditional Name: benzoic acid [1-[[4-(3-cyanophenyl)phenoxy]methyl]-3-(3-pyridyl)propyl] ester Formula: C29H24N2O3 MolecularWeight: 448.51246

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OC(CCC2=CN=CC=C2)COC3=CC=C(C=C3)C4=CC=CC(=C4)C#N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OC(CCC2=CN=CC=C2)COC3=CC=C(C=C3)C4=CC=CC(=C4)C#N

InChI

InChI=1S/C29H24N2O3/c30-19-23-6-4-10-26(18-23)24-12-15-27(16-13-24)33-21-28(14-11-22-7-5-17-31-20-22)34-29(32)25-8-2-1-3-9-25/h1-10,12-13,15-18,20,28H,11,14,21H2