3-bromanyl-1-methyl-4-[6-phenylmethoxy-1-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]indol-3-yl]pyrrole-2,5-dione

Systemtic Name: 3-bromanyl-1-methyl-4-[6-phenylmethoxy-1-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]indol-3-yl]pyrrole-2,5-dione Openeye Name: 3-[6-benzyloxy-1-[(2R,3R,4S,5R,6R)-3,4,5-tribenzyloxy-6-(benzyloxymethyl)tetrahydropyran-2-yl]indol-3-yl]-4-bromo-1-methyl-pyrrole-2,5-dione CAS Name: 3-bromo-1-methyl-4-[6-phenylmethoxy-1-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)-2-oxanyl]-3-indolyl]pyrrole-2,5-dione IUPAC Name: 3-bromo-1-methyl-4-[6-phenylmethoxy-1-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]indol-3-yl]pyrrole-2,5-dione Traditional Name: 3-[6-benzoxy-1-[(2R,3R,4S,5R,6R)-3,4,5-tribenzoxy-6-(benzoxymethyl)tetrahydropyran-2-yl]indol-3-yl]-4-bromo-1-methyl-3-pyrroline-2,5-quinone Formula: C54H49BrN2O8 MolecularWeight: 933.87946

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=C(C1=O)Br)C2=CN(C3=C2C=CC(=C3)OCC4=CC=CC=C4)C5C(C(C(C(O5)COCC6=CC=CC=C6)OCC7=CC=CC=C7)OCC8=CC=CC=C8)OCC9=CC=CC=C9

Isomeric SMILES

CN1C(=O)C(=C(C1=O)Br)C2=CN(C3=C2C=CC(=C3)OCC4=CC=CC=C4)[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)COCC6=CC=CC=C6)OCC7=CC=CC=C7)OCC8=CC=CC=C8)OCC9=CC=CC=C9

InChI

InChI=1S/C54H49BrN2O8/c1-56-52(58)47(48(55)53(56)59)44-30-57(45-29-42(27-28-43(44)45)61-32-38-19-9-3-10-20-38)54-51(64-35-41-25-15-6-16-26-41)50(63-34-40-23-13-5-14-24-40)49(62-33-39-21-11-4-12-22-39)46(65-54)36-60-31-37-17-7-2-8-18-37/h2-30,46,49-51,54H,31-36H2,1H3/t46-,49-,50+,51-,54-/m1/s1