pyridin-3-ylmethyl 2,2-dimethyl-6-[4-(4-phenylbutyl)phenoxy]hexanoate

Systemtic Name: pyridin-3-ylmethyl 2,2-dimethyl-6-[4-(4-phenylbutyl)phenoxy]hexanoate Openeye Name: 3-pyridylmethyl 2,2-dimethyl-6-[4-(4-phenylbutyl)phenoxy]hexanoate CAS Name: 2,2-dimethyl-6-[4-(4-phenylbutyl)phenoxy]hexanoic acid 3-pyridinylmethyl ester IUPAC Name: pyridin-3-ylmethyl 2,2-dimethyl-6-[4-(4-phenylbutyl)phenoxy]hexanoate Traditional Name: 2,2-dimethyl-6-[4-(4-phenylbutyl)phenoxy]hexanoic acid 3-pyridylmethyl ester Formula: C30H37NO3 MolecularWeight: 459.61968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCCCOC1=CC=C(C=C1)CCCCC2=CC=CC=C2)C(=O)OCC3=CN=CC=C3

Isomeric SMILES

CC(C)(CCCCOC1=CC=C(C=C1)CCCCC2=CC=CC=C2)C(=O)OCC3=CN=CC=C3

InChI

InChI=1S/C30H37NO3/c1-30(2,29(32)34-24-27-15-10-21-31-23-27)20-8-9-22-33-28-18-16-26(17-19-28)14-7-6-13-25-11-4-3-5-12-25/h3-5,10-12,15-19,21,23H,6-9,13-14,20,22,24H2,1-2H3