tert-butyl (1S)-8-cyano-1-(methoxymethyl)-5-oxidanyl-1,2-dihydrobenzo[e]indole-3-carboxylate

Systemtic Name: tert-butyl (1S)-8-cyano-1-(methoxymethyl)-5-oxidanyl-1,2-dihydrobenzo[e]indole-3-carboxylate Openeye Name: tert-butyl (1S)-8-cyano-5-hydroxy-1-(methoxymethyl)-1,2-dihydrobenzo[e]indole-3-carboxylate CAS Name: (1S)-8-cyano-5-hydroxy-1-(methoxymethyl)-1,2-dihydrobenzo[e]indole-3-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (1S)-8-cyano-5-hydroxy-1-(methoxymethyl)-1,2-dihydrobenzo[e]indole-3-carboxylate Traditional Name: (1S)-8-cyano-5-hydroxy-1-(methoxymethyl)-1,2-dihydrobenz[e]indole-3-carboxylic acid tert-butyl ester Formula: C20H22N2O4 MolecularWeight: 354.39968

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC(C2=C3C=C(C=CC3=C(C=C21)O)C#N)COC

Isomeric SMILES

CC(C)(C)OC(=O)N1C[C@H](C2=C3C=C(C=CC3=C(C=C21)O)C#N)COC

InChI

InChI=1S/C20H22N2O4/c1-20(2,3)26-19(24)22-10-13(11-25-4)18-15-7-12(9-21)5-6-14(15)17(23)8-16(18)22/h5-8,13,23H,10-11H2,1-4H3/t13-/m0/s1