tert-butyl (1S)-1-(acetyloxymethyl)-5-(methoxymethoxy)-1,2-dihydrobenzo[e]indole-3-carboxylate

Systemtic Name: tert-butyl (1S)-1-(acetyloxymethyl)-5-(methoxymethoxy)-1,2-dihydrobenzo[e]indole-3-carboxylate Openeye Name: tert-butyl (1S)-1-(acetoxymethyl)-5-(methoxymethoxy)-1,2-dihydrobenzo[e]indole-3-carboxylate CAS Name: (1S)-1-(acetyloxymethyl)-5-(methoxymethoxy)-1,2-dihydrobenzo[e]indole-3-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (1S)-1-(acetyloxymethyl)-5-(methoxymethoxy)-1,2-dihydrobenzo[e]indole-3-carboxylate Traditional Name: (1S)-1-(acetoxymethyl)-5-(methoxymethoxy)-1,2-dihydrobenz[e]indole-3-carboxylic acid tert-butyl ester Formula: C22H27NO6 MolecularWeight: 401.45288

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1CN(C2=C1C3=CC=CC=C3C(=C2)OCOC)C(=O)OC(C)(C)C

Isomeric SMILES

CC(=O)OC[C@@H]1CN(C2=C1C3=CC=CC=C3C(=C2)OCOC)C(=O)OC(C)(C)C

InChI

InChI=1S/C22H27NO6/c1-14(24)27-12-15-11-23(21(25)29-22(2,3)4)18-10-19(28-13-26-5)16-8-6-7-9-17(16)20(15)18/h6-10,15H,11-13H2,1-5H3/t15-/m0/s1