[4-[(2S)-1-[(2S)-butan-2-yl]oxypropan-2-yl]oxycarbonylphenyl] 4-pentoxybenzoate

Systemtic Name: [4-[(2S)-1-[(2S)-butan-2-yl]oxypropan-2-yl]oxycarbonylphenyl] 4-pentoxybenzoate Openeye Name: [4-[(1S)-1-methyl-2-[(1S)-1-methylpropoxy]ethoxy]carbonylphenyl] 4-pentoxybenzoate CAS Name: 4-pentoxybenzoic acid [4-[[(2S)-1-[(2S)-butan-2-yl]oxypropan-2-yl]oxy-oxomethyl]phenyl] ester IUPAC Name: [4-[(2S)-1-[(2S)-butan-2-yl]oxypropan-2-yl]oxycarbonylphenyl] 4-pentoxybenzoate Traditional Name: 4-amoxybenzoic acid [4-[(1S)-1-methyl-2-[(1S)-1-methylpropoxy]ethoxy]carbonylphenyl] ester Formula: C26H34O6 MolecularWeight: 442.54456

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=O)OC(C)COC(C)CC

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=O)O[C@@H](C)CO[C@@H](C)CC

InChI

InChI=1S/C26H34O6/c1-5-7-8-17-29-23-13-9-22(10-14-23)26(28)32-24-15-11-21(12-16-24)25(27)31-20(4)18-30-19(3)6-2/h9-16,19-20H,5-8,17-18H2,1-4H3/t19-,20-/m0/s1