[(2S,3S)-2-benzamido-2-methoxycarbonyl-3-(phenylcarbonyloxy)icosyl] benzoate

Systemtic Name: [(2S,3S)-2-benzamido-2-methoxycarbonyl-3-(phenylcarbonyloxy)icosyl] benzoate Openeye Name: [(2S,3S)-2-benzamido-3-benzoyloxy-2-methoxycarbonyl-icosyl] benzoate CAS Name: benzoic acid [(2S,3S)-2-benzamido-3-benzoyloxy-2-methoxycarbonyleicosyl] ester IUPAC Name: [(2S,3S)-2-benzamido-3-benzoyloxy-2-methoxycarbonylicosyl] benzoate Traditional Name: benzoic acid [(2S,3S)-2-benzamido-3-benzoyloxy-2-carbomethoxy-eicosyl] ester Formula: C43H57NO7 MolecularWeight: 699.91518

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(C(COC(=O)C1=CC=CC=C1)(C(=O)OC)NC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCCCCCCCCC[C@@H]([C@@](COC(=O)C1=CC=CC=C1)(C(=O)OC)NC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C43H57NO7/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-26-33-38(51-41(47)37-31-24-19-25-32-37)43(42(48)49-2,44-39(45)35-27-20-17-21-28-35)34-50-40(46)36-29-22-18-23-30-36/h17-25,27-32,38H,3-16,26,33-34H2,1-2H3,(H,44,45)/t38-,43-/m0/s1