tert-butyl 6-cyano-2-ethenyl-3-phenyl-4-pyrrolidin-3-yloxy-indole-1-carboxylate

Systemtic Name: tert-butyl 6-cyano-2-ethenyl-3-phenyl-4-pyrrolidin-3-yloxy-indole-1-carboxylate Openeye Name: tert-butyl 6-cyano-3-phenyl-4-pyrrolidin-3-yloxy-2-vinyl-indole-1-carboxylate CAS Name: 6-cyano-2-ethenyl-3-phenyl-4-(3-pyrrolidinyloxy)-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 6-cyano-2-ethenyl-3-phenyl-4-pyrrolidin-3-yloxyindole-1-carboxylate Traditional Name: 6-cyano-3-phenyl-4-pyrrolidin-3-yloxy-2-vinyl-indole-1-carboxylic acid tert-butyl ester Formula: C26H27N3O3 MolecularWeight: 429.51088

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C2=C(C(=CC(=C2)C#N)OC3CCNC3)C(=C1C=C)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)N1C2=C(C(=CC(=C2)C#N)OC3CCNC3)C(=C1C=C)C4=CC=CC=C4

InChI

InChI=1S/C26H27N3O3/c1-5-20-23(18-9-7-6-8-10-18)24-21(29(20)25(30)32-26(2,3)4)13-17(15-27)14-22(24)31-19-11-12-28-16-19/h5-10,13-14,19,28H,1,11-12,16H2,2-4H3