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

Systemtic Name: tert-butyl (1S)-8-cyano-1-(hydroxymethyl)-5-phenylmethoxy-1,2-dihydrobenzo[e]indole-3-carboxylate Openeye Name: tert-butyl (1S)-5-benzyloxy-8-cyano-1-(hydroxymethyl)-1,2-dihydrobenzo[e]indole-3-carboxylate CAS Name: (1S)-8-cyano-1-(hydroxymethyl)-5-phenylmethoxy-1,2-dihydrobenzo[e]indole-3-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (1S)-8-cyano-1-(hydroxymethyl)-5-phenylmethoxy-1,2-dihydrobenzo[e]indole-3-carboxylate Traditional Name: (1S)-5-benzoxy-8-cyano-1-methylol-1,2-dihydrobenz[e]indole-3-carboxylic acid tert-butyl ester Formula: C26H26N2O4 MolecularWeight: 430.49564

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC(C2=C3C=C(C=CC3=C(C=C21)OCC4=CC=CC=C4)C#N)CO

Isomeric SMILES

CC(C)(C)OC(=O)N1C[C@H](C2=C3C=C(C=CC3=C(C=C21)OCC4=CC=CC=C4)C#N)CO

InChI

InChI=1S/C26H26N2O4/c1-26(2,3)32-25(30)28-14-19(15-29)24-21-11-18(13-27)9-10-20(21)23(12-22(24)28)31-16-17-7-5-4-6-8-17/h4-12,19,29H,14-16H2,1-3H3/t19-/m0/s1