[(2R,3R,4S,5R,6R)-2-[3-[2-(butylamino)-2-oxidanylidene-ethyl]indol-1-yl]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl] ethanoate

Systemtic Name: [(2R,3R,4S,5R,6R)-2-[3-[2-(butylamino)-2-oxidanylidene-ethyl]indol-1-yl]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl] ethanoate Openeye Name: [(2R,3R,4S,5R,6R)-4,5-dibenzyloxy-6-(benzyloxymethyl)-2-[3-[2-(butylamino)-2-oxo-ethyl]indol-1-yl]tetrahydropyran-3-yl] acetate CAS Name: acetic acid [(2R,3R,4S,5R,6R)-2-[3-[2-(butylamino)-2-oxoethyl]-1-indolyl]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-3-oxanyl] ester IUPAC Name: [(2R,3R,4S,5R,6R)-2-[3-[2-(butylamino)-2-oxoethyl]indol-1-yl]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl] acetate Traditional Name: acetic acid [(2R,3R,4S,5R,6R)-4,5-dibenzoxy-6-(benzoxymethyl)-2-[3-[2-(butylamino)-2-keto-ethyl]indol-1-yl]tetrahydropyran-3-yl] ester Formula: C43H48N2O7 MolecularWeight: 704.85042

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CC1=CN(C2=CC=CC=C21)C3C(C(C(C(O3)COCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6)OC(=O)C

Isomeric SMILES

CCCCNC(=O)CC1=CN(C2=CC=CC=C21)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6)OC(=O)C

InChI

InChI=1S/C43H48N2O7/c1-3-4-24-44-39(47)25-35-26-45(37-23-15-14-22-36(35)37)43-42(51-31(2)46)41(50-29-34-20-12-7-13-21-34)40(49-28-33-18-10-6-11-19-33)38(52-43)30-48-27-32-16-8-5-9-17-32/h5-23,26,38,40-43H,3-4,24-25,27-30H2,1-2H3,(H,44,47)/t38-,40-,41+,42-,43-/m1/s1