[2-ethoxycarbonyl-4-(4-octylphenyl)-2-(phenylcarbonyloxycarbonylamino)butyl] benzoate

Systemtic Name: [2-ethoxycarbonyl-4-(4-octylphenyl)-2-(phenylcarbonyloxycarbonylamino)butyl] benzoate Openeye Name: [2-(benzoyloxycarbonylamino)-2-ethoxycarbonyl-4-(4-octylphenyl)butyl] benzoate CAS Name: benzoic acid [2-[[benzoyloxy(oxo)methyl]amino]-2-ethoxycarbonyl-4-(4-octylphenyl)butyl] ester IUPAC Name: [2-(benzoyloxycarbonylamino)-2-ethoxycarbonyl-4-(4-octylphenyl)butyl] benzoate Traditional Name: benzoic acid [2-(benzoyloxycarbonylamino)-2-carbethoxy-4-(4-octylphenyl)butyl] ester Formula: C36H43NO7 MolecularWeight: 601.72912

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)CCC(COC(=O)C2=CC=CC=C2)(C(=O)OCC)NC(=O)OC(=O)C3=CC=CC=C3

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)CCC(COC(=O)C2=CC=CC=C2)(C(=O)OCC)NC(=O)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C36H43NO7/c1-3-5-6-7-8-11-16-28-21-23-29(24-22-28)25-26-36(34(40)42-4-2,27-43-32(38)30-17-12-9-13-18-30)37-35(41)44-33(39)31-19-14-10-15-20-31/h9-10,12-15,17-24H,3-8,11,16,25-27H2,1-2H3,(H,37,41)