1-[4-(4-hexoxyphenyl)phenoxy]propan-2-yl 4-methylpentanoate

Systemtic Name: 1-[4-(4-hexoxyphenyl)phenoxy]propan-2-yl 4-methylpentanoate Openeye Name: [2-[4-(4-hexoxyphenyl)phenoxy]-1-methyl-ethyl] 4-methylpentanoate CAS Name: 4-methylpentanoic acid 1-[4-(4-hexoxyphenyl)phenoxy]propan-2-yl ester IUPAC Name: 1-[4-(4-hexoxyphenyl)phenoxy]propan-2-yl 4-methylpentanoate Traditional Name: 4-methylvaleric acid [2-[4-(4-hexoxyphenyl)phenoxy]-1-methyl-ethyl] ester Formula: C27H38O4 MolecularWeight: 426.58822

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)OCC(C)OC(=O)CCC(C)C

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)OCC(C)OC(=O)CCC(C)C

InChI

InChI=1S/C27H38O4/c1-5-6-7-8-19-29-25-14-10-23(11-15-25)24-12-16-26(17-13-24)30-20-22(4)31-27(28)18-9-21(2)3/h10-17,21-22H,5-9,18-20H2,1-4H3