(3-chloranyl-4-cyano-phenyl) 4-(5-pentyl-1,3-dioxan-2-yl)benzoate

Systemtic Name: (3-chloranyl-4-cyano-phenyl) 4-(5-pentyl-1,3-dioxan-2-yl)benzoate Openeye Name: (3-chloro-4-cyano-phenyl) 4-(5-pentyl-1,3-dioxan-2-yl)benzoate CAS Name: 4-(5-pentyl-1,3-dioxan-2-yl)benzoic acid (3-chloro-4-cyanophenyl) ester IUPAC Name: (3-chloro-4-cyanophenyl) 4-(5-pentyl-1,3-dioxan-2-yl)benzoate Traditional Name: 4-(5-amyl-1,3-dioxan-2-yl)benzoic acid (3-chloro-4-cyano-phenyl) ester Formula: C23H24ClNO4 MolecularWeight: 413.89396

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1COC(OC1)C2=CC=C(C=C2)C(=O)OC3=CC(=C(C=C3)C#N)Cl

Isomeric SMILES

CCCCCC1COC(OC1)C2=CC=C(C=C2)C(=O)OC3=CC(=C(C=C3)C#N)Cl

InChI

InChI=1S/C23H24ClNO4/c1-2-3-4-5-16-14-27-23(28-15-16)18-8-6-17(7-9-18)22(26)29-20-11-10-19(13-25)21(24)12-20/h6-12,16,23H,2-5,14-15H2,1H3