[(2R,3R,4R,5R)-5-(acetyloxymethyl)-1-ethanoyl-2-[6-[(4S,5S)-5-[(2R)-1-ethanoylpiperidin-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]hexyl]-4-(phenylcarbonyloxy)pyrrolidin-3-yl] benzoate

Systemtic Name: [(2R,3R,4R,5R)-5-(acetyloxymethyl)-1-ethanoyl-2-[6-[(4S,5S)-5-[(2R)-1-ethanoylpiperidin-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]hexyl]-4-(phenylcarbonyloxy)pyrrolidin-3-yl] benzoate Openeye Name: [(2R,3R,4R,5R)-5-(acetoxymethyl)-1-acetyl-2-[6-[(4S,5S)-5-[(2R)-1-acetyl-2-piperidyl]-2,2-dimethyl-1,3-dioxolan-4-yl]hexyl]-4-benzoyloxy-pyrrolidin-3-yl] benzoate CAS Name: benzoic acid [(2R,3R,4R,5R)-1-acetyl-5-(acetyloxymethyl)-2-[6-[(4S,5S)-5-[(2R)-1-acetyl-2-piperidinyl]-2,2-dimethyl-1,3-dioxolan-4-yl]hexyl]-4-benzoyloxy-3-pyrrolidinyl] ester IUPAC Name: [(2R,3R,4R,5R)-1-acetyl-5-(acetyloxymethyl)-2-[6-[(4S,5S)-5-[(2R)-1-acetylpiperidin-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]hexyl]-4-benzoyloxypyrrolidin-3-yl] benzoate Traditional Name: benzoic acid [(2R,3R,4R,5R)-5-(acetoxymethyl)-1-acetyl-2-[6-[(4S,5S)-5-[(2R)-1-acetyl-2-piperidyl]-2,2-dimethyl-1,3-dioxolan-4-yl]hexyl]-4-benzoyloxy-pyrrolidin-3-yl] ester Formula: C41H54N2O10 MolecularWeight: 734.87486

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCCCC1C2C(OC(O2)(C)C)CCCCCCC3C(C(C(N3C(=O)C)COC(=O)C)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5

Isomeric SMILES

CC(=O)N1CCCC[C@@H]1[C@H]2[C@@H](OC(O2)(C)C)CCCCCC[C@@H]3[C@H]([C@@H]([C@H](N3C(=O)C)COC(=O)C)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5

InChI

InChI=1S/C41H54N2O10/c1-27(44)42-25-17-16-22-32(42)36-35(52-41(4,5)53-36)24-15-7-6-14-23-33-37(50-39(47)30-18-10-8-11-19-30)38(51-40(48)31-20-12-9-13-21-31)34(26-49-29(3)46)43(33)28(2)45/h8-13,18-21,32-38H,6-7,14-17,22-26H2,1-5H3/t32-,33-,34-,35+,36+,37-,38-/m1/s1