pyridin-3-ylmethyl 5-[4-[4,4-dimethyl-5-oxidanylidene-5-(pyridin-3-ylmethoxy)pentoxy]-3-phenyl-phenoxy]-2,2-dimethyl-pentanoate

Systemtic Name: pyridin-3-ylmethyl 5-[4-[4,4-dimethyl-5-oxidanylidene-5-(pyridin-3-ylmethoxy)pentoxy]-3-phenyl-phenoxy]-2,2-dimethyl-pentanoate Openeye Name: 3-pyridylmethyl 5-[4-[4,4-dimethyl-5-oxo-5-(3-pyridylmethoxy)pentoxy]-3-phenyl-phenoxy]-2,2-dimethyl-pentanoate CAS Name: 5-[4-[4,4-dimethyl-5-oxo-5-(3-pyridinylmethoxy)pentoxy]-3-phenylphenoxy]-2,2-dimethylpentanoic acid 3-pyridinylmethyl ester IUPAC Name: pyridin-3-ylmethyl 5-[4-[4,4-dimethyl-5-oxo-5-(pyridin-3-ylmethoxy)pentoxy]-3-phenylphenoxy]-2,2-dimethylpentanoate Traditional Name: 5-[4-[5-keto-4,4-dimethyl-5-(3-pyridylmethoxy)pentoxy]-3-phenyl-phenoxy]-2,2-dimethyl-valeric acid 3-pyridylmethyl ester Formula: C38H44N2O6 MolecularWeight: 624.76576

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCCOC1=CC(=C(C=C1)OCCCC(C)(C)C(=O)OCC2=CN=CC=C2)C3=CC=CC=C3)C(=O)OCC4=CN=CC=C4

Isomeric SMILES

CC(C)(CCCOC1=CC(=C(C=C1)OCCCC(C)(C)C(=O)OCC2=CN=CC=C2)C3=CC=CC=C3)C(=O)OCC4=CN=CC=C4

InChI

InChI=1S/C38H44N2O6/c1-37(2,35(41)45-27-29-12-8-20-39-25-29)18-10-22-43-32-16-17-34(33(24-32)31-14-6-5-7-15-31)44-23-11-19-38(3,4)36(42)46-28-30-13-9-21-40-26-30/h5-9,12-17,20-21,24-26H,10-11,18-19,22-23,27-28H2,1-4H3