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

Systemtic Name: [2-(hydroxymethyl)-4-(4-octylphenyl)-2-(phenylcarbonyloxycarbonylamino)butyl] benzoate Openeye Name: [2-(benzoyloxycarbonylamino)-2-(hydroxymethyl)-4-(4-octylphenyl)butyl] benzoate CAS Name: benzoic acid [2-[[benzoyloxy(oxo)methyl]amino]-2-(hydroxymethyl)-4-(4-octylphenyl)butyl] ester IUPAC Name: [2-(benzoyloxycarbonylamino)-2-(hydroxymethyl)-4-(4-octylphenyl)butyl] benzoate Traditional Name: benzoic acid [2-(benzoyloxycarbonylamino)-2-methylol-4-(4-octylphenyl)butyl] ester Formula: C34H41NO6 MolecularWeight: 559.69244

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H41NO6/c1-2-3-4-5-6-9-14-27-19-21-28(22-20-27)23-24-34(25-36,26-40-31(37)29-15-10-7-11-16-29)35-33(39)41-32(38)30-17-12-8-13-18-30/h7-8,10-13,15-22,36H,2-6,9,14,23-26H2,1H3,(H,35,39)