[(3R,4R)-6-(cyclohexylamino)-2,4-dimethyl-hexan-3-yl] 2-diphenylphosphanylbenzoate

Systemtic Name: [(3R,4R)-6-(cyclohexylamino)-2,4-dimethyl-hexan-3-yl] 2-diphenylphosphanylbenzoate Openeye Name: [(1R,2R)-4-(cyclohexylamino)-1-isopropyl-2-methyl-butyl] 2-diphenylphosphanylbenzoate CAS Name: 2-diphenylphosphinobenzoic acid [(3R,4R)-6-(cyclohexylamino)-2,4-dimethylhexan-3-yl] ester IUPAC Name: [(3R,4R)-6-(cyclohexylamino)-2,4-dimethylhexan-3-yl] 2-diphenylphosphanylbenzoate Traditional Name: 2-diphenylphosphinobenzoic acid [(1R,2R)-4-(cyclohexylamino)-1-isopropyl-2-methyl-butyl] ester Formula: C33H42NO2P MolecularWeight: 515.665841

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(C)CCNC1CCCCC1)OC(=O)C2=CC=CC=C2P(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C[C@H](CCNC1CCCCC1)[C@@H](C(C)C)OC(=O)C2=CC=CC=C2P(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C33H42NO2P/c1-25(2)32(26(3)23-24-34-27-15-7-4-8-16-27)36-33(35)30-21-13-14-22-31(30)37(28-17-9-5-10-18-28)29-19-11-6-12-20-29/h5-6,9-14,17-22,25-27,32,34H,4,7-8,15-16,23-24H2,1-3H3/t26-,32-/m1/s1