[3-ethoxycarbonyl-1-(4-octylphenyl)-6-(oxan-2-yloxy)hexan-3-yl]carbamic acid

Systemtic Name: [3-ethoxycarbonyl-1-(4-octylphenyl)-6-(oxan-2-yloxy)hexan-3-yl]carbamic acid Openeye Name: [1-ethoxycarbonyl-1-[2-(4-octylphenyl)ethyl]-4-tetrahydropyran-2-yloxy-butyl]carbamic acid CAS Name: [3-ethoxycarbonyl-1-(4-octylphenyl)-6-(2-oxanyloxy)hexan-3-yl]carbamic acid IUPAC Name: [3-ethoxycarbonyl-1-(4-octylphenyl)-6-(oxan-2-yloxy)hexan-3-yl]carbamic acid Traditional Name: [1-carbethoxy-1-[2-(4-octylphenyl)ethyl]-4-tetrahydropyran-2-yloxy-butyl]carbamic acid Formula: C29H47NO6 MolecularWeight: 505.68658

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)CCC(CCCOC2CCCCO2)(C(=O)OCC)NC(=O)O

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)CCC(CCCOC2CCCCO2)(C(=O)OCC)NC(=O)O

InChI

InChI=1S/C29H47NO6/c1-3-5-6-7-8-9-13-24-15-17-25(18-16-24)19-21-29(30-28(32)33,27(31)34-4-2)20-12-23-36-26-14-10-11-22-35-26/h15-18,26,30H,3-14,19-23H2,1-2H3,(H,32,33)