[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[[(1S)-1-[(1R)-1-chloranylethyl]-3-[[5-(2-dimethylaminoethyloxy)-1H-indol-2-yl]carbonyl]-1,2-dihydrobenzo[e]indol-5-yl]oxy]oxan-2-yl]methyl ethanoate

Systemtic Name: [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[[(1S)-1-[(1R)-1-chloranylethyl]-3-[[5-(2-dimethylaminoethyloxy)-1H-indol-2-yl]carbonyl]-1,2-dihydrobenzo[e]indol-5-yl]oxy]oxan-2-yl]methyl ethanoate Openeye Name: [(2R,3R,4S,5R,6R)-3,4,5-triacetoxy-6-[[(1S)-1-[(1R)-1-chloroethyl]-3-[5-(2-dimethylaminoethyloxy)-1H-indole-2-carbonyl]-1,2-dihydrobenzo[e]indol-5-yl]oxy]tetrahydropyran-2-yl]methyl acetate CAS Name: acetic acid [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[[(1S)-1-[(1R)-1-chloroethyl]-3-[[5-(2-dimethylaminoethyloxy)-1H-indol-2-yl]-oxomethyl]-1,2-dihydrobenzo[e]indol-5-yl]oxy]-2-oxanyl]methyl ester IUPAC Name: [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[[(1S)-1-[(1R)-1-chloroethyl]-3-[5-(2-dimethylaminoethyloxy)-1H-indole-2-carbonyl]-1,2-dihydrobenzo[e]indol-5-yl]oxy]oxan-2-yl]methyl acetate Traditional Name: acetic acid [(2R,3R,4S,5R,6R)-3,4,5-triacetoxy-6-[[(1S)-1-[(1R)-1-chloroethyl]-3-[5-(2-dimethylaminoethyloxy)-1H-indole-2-carbonyl]-1,2-dihydrobenz[e]indol-5-yl]oxy]tetrahydropyran-2-yl]methyl ester Formula: C41H46ClN3O12 MolecularWeight: 808.26984

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CN(C2=C1C3=CC=CC=C3C(=C2)OC4C(C(C(C(O4)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C(=O)C5=CC6=C(N5)C=CC(=C6)OCCN(C)C)Cl

Isomeric SMILES

C[C@H]([C@@H]1CN(C2=C1C3=CC=CC=C3C(=C2)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C(=O)C5=CC6=C(N5)C=CC(=C6)OCCN(C)C)Cl

InChI

InChI=1S/C41H46ClN3O12/c1-21(42)30-19-45(40(50)32-17-26-16-27(12-13-31(26)43-32)51-15-14-44(6)7)33-18-34(28-10-8-9-11-29(28)36(30)33)56-41-39(55-25(5)49)38(54-24(4)48)37(53-23(3)47)35(57-41)20-52-22(2)46/h8-13,16-18,21,30,35,37-39,41,43H,14-15,19-20H2,1-7H3/t21-,30+,35-,37-,38+,39-,41+/m1/s1