ethyl 6-[4-(4-methoxyphenyl)-6-phenyl-pyridin-2-yl]oxy-2-methyl-hexanoate

Systemtic Name: ethyl 6-[4-(4-methoxyphenyl)-6-phenyl-pyridin-2-yl]oxy-2-methyl-hexanoate Openeye Name: ethyl 6-[[4-(4-methoxyphenyl)-6-phenyl-2-pyridyl]oxy]-2-methyl-hexanoate CAS Name: 6-[[4-(4-methoxyphenyl)-6-phenyl-2-pyridinyl]oxy]-2-methylhexanoic acid ethyl ester IUPAC Name: ethyl 6-[4-(4-methoxyphenyl)-6-phenylpyridin-2-yl]oxy-2-methylhexanoate Traditional Name: 6-[[4-(4-methoxyphenyl)-6-phenyl-2-pyridyl]oxy]-2-methyl-hexanoic acid ethyl ester Formula: C27H31NO4 MolecularWeight: 433.53934

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)CCCCOC1=CC(=CC(=N1)C2=CC=CC=C2)C3=CC=C(C=C3)OC

Isomeric SMILES

CCOC(=O)C(C)CCCCOC1=CC(=CC(=N1)C2=CC=CC=C2)C3=CC=C(C=C3)OC

InChI

InChI=1S/C27H31NO4/c1-4-31-27(29)20(2)10-8-9-17-32-26-19-23(21-13-15-24(30-3)16-14-21)18-25(28-26)22-11-6-5-7-12-22/h5-7,11-16,18-20H,4,8-10,17H2,1-3H3