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

Systemtic Name: [2-(2-diethoxyphosphanyloxyethyl)-4-(4-octylphenyl)-2-(phenylcarbonyloxycarbonylamino)butyl] benzoate Openeye Name: [2-(benzoyloxycarbonylamino)-2-(2-diethoxyphosphanyloxyethyl)-4-(4-octylphenyl)butyl] benzoate CAS Name: benzoic acid [2-[[benzoyloxy(oxo)methyl]amino]-2-(2-diethoxyphosphinooxyethyl)-4-(4-octylphenyl)butyl] ester IUPAC Name: [2-(benzoyloxycarbonylamino)-2-(2-diethoxyphosphanyloxyethyl)-4-(4-octylphenyl)butyl] benzoate Traditional Name: benzoic acid [2-(benzoyloxycarbonylamino)-2-(2-diethoxyphosphinooxyethyl)-4-(4-octylphenyl)butyl] ester Formula: C39H52NO8P MolecularWeight: 693.805841

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C39H52NO8P/c1-4-7-8-9-10-13-18-32-23-25-33(26-24-32)27-28-39(29-30-47-49(45-5-2)46-6-3,31-44-36(41)34-19-14-11-15-20-34)40-38(43)48-37(42)35-21-16-12-17-22-35/h11-12,14-17,19-26H,4-10,13,18,27-31H2,1-3H3,(H,40,43)