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

Systemtic Name: tert-butyl 1-(chloromethyl)-8-cyano-5-phenylmethoxy-1,2-dihydrobenzo[e]indole-3-carboxylate Openeye Name: tert-butyl 5-benzyloxy-1-(chloromethyl)-8-cyano-1,2-dihydrobenzo[e]indole-3-carboxylate CAS Name: 1-(chloromethyl)-8-cyano-5-phenylmethoxy-1,2-dihydrobenzo[e]indole-3-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-(chloromethyl)-8-cyano-5-phenylmethoxy-1,2-dihydrobenzo[e]indole-3-carboxylate Traditional Name: 5-benzoxy-1-(chloromethyl)-8-cyano-1,2-dihydrobenz[e]indole-3-carboxylic acid tert-butyl ester Formula: C26H25ClN2O3 MolecularWeight: 448.9413

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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)CCl

Isomeric SMILES

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

InChI

InChI=1S/C26H25ClN2O3/c1-26(2,3)32-25(30)29-15-19(13-27)24-21-11-18(14-28)9-10-20(21)23(12-22(24)29)31-16-17-7-5-4-6-8-17/h4-12,19H,13,15-16H2,1-3H3