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

Systemtic Name: tert-butyl 8-cyano-1-(oxan-2-yloxymethyl)-5-phenylmethoxy-1,2-dihydrobenzo[e]indole-3-carboxylate Openeye Name: tert-butyl 5-benzyloxy-8-cyano-1-(tetrahydropyran-2-yloxymethyl)-1,2-dihydrobenzo[e]indole-3-carboxylate CAS Name: 8-cyano-1-(2-oxanyloxymethyl)-5-phenylmethoxy-1,2-dihydrobenzo[e]indole-3-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 8-cyano-1-(oxan-2-yloxymethyl)-5-phenylmethoxy-1,2-dihydrobenzo[e]indole-3-carboxylate Traditional Name: 5-benzoxy-8-cyano-1-(tetrahydropyran-2-yloxymethyl)-1,2-dihydrobenz[e]indole-3-carboxylic acid tert-butyl ester Formula: C31H34N2O5 MolecularWeight: 514.61206

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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)COC5CCCCO5

Isomeric SMILES

CC(C)(C)OC(=O)N1CC(C2=C3C=C(C=CC3=C(C=C21)OCC4=CC=CC=C4)C#N)COC5CCCCO5

InChI

InChI=1S/C31H34N2O5/c1-31(2,3)38-30(34)33-18-23(20-37-28-11-7-8-14-35-28)29-25-15-22(17-32)12-13-24(25)27(16-26(29)33)36-19-21-9-5-4-6-10-21/h4-6,9-10,12-13,15-16,23,28H,7-8,11,14,18-20H2,1-3H3