O2-methyl O6-(phenylmethyl) 4,8-bis[[(2S)-1-(triphenylmethyl)aziridin-2-yl]carbonyloxy]-3,7,8,9-tetrahydropyrrolo[3,2-f]quinoline-2,6-dicarboxylate

Systemtic Name: O2-methyl O6-(phenylmethyl) 4,8-bis[[(2S)-1-(triphenylmethyl)aziridin-2-yl]carbonyloxy]-3,7,8,9-tetrahydropyrrolo[3,2-f]quinoline-2,6-dicarboxylate Openeye Name: O6-benzyl O2-methyl 4,8-bis[[(2S)-1-tritylaziridine-2-carbonyl]oxy]-3,7,8,9-tetrahydropyrrolo[3,2-f]quinoline-2,6-dicarboxylate CAS Name: 4,8-bis[oxo-[(2S)-1-(triphenylmethyl)-2-aziridinyl]methoxy]-3,7,8,9-tetrahydropyrrolo[3,2-f]quinoline-2,6-dicarboxylic acid O2-methyl ester O6-(phenylmethyl) ester IUPAC Name: 6-O-benzyl 2-O-methyl 4,8-bis[[(2S)-1-tritylaziridine-2-carbonyl]oxy]-3,7,8,9-tetrahydropyrrolo[3,2-f]quinoline-2,6-dicarboxylate Traditional Name: 4,8-bis[[(2S)-1-tritylethylenimine-2-carbonyl]oxy]-3,7,8,9-tetrahydropyrrolo[3,2-f]quinoline-2,6-dicarboxylic acid O6-benzyl ester O2-methyl ester Formula: C65H54N4O8 MolecularWeight: 1019.14626

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C3CC(CN(C3=CC(=C2N1)OC(=O)C4CN4C(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7)C(=O)OCC8=CC=CC=C8)OC(=O)C9CN9C(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1

Isomeric SMILES

COC(=O)C1=CC2=C3CC(CN(C3=CC(=C2N1)OC(=O)[C@@H]4CN4C(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7)C(=O)OCC8=CC=CC=C8)OC(=O)[C@@H]9CN9C(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1

InChI

InChI=1S/C65H54N4O8/c1-74-60(70)54-38-53-52-37-51(76-61(71)56-41-68(56)64(45-25-11-3-12-26-45,46-27-13-4-14-28-46)47-29-15-5-16-30-47)40-67(63(73)75-43-44-23-9-2-10-24-44)55(52)39-58(59(53)66-54)77-62(72)57-42-69(57)65(48-31-17-6-18-32-48,49-33-19-7-20-34-49)50-35-21-8-22-36-50/h2-36,38-39,51,56-57,66H,37,40-43H2,1H3/t51?,56-,57-,68?,69?/m0/s1