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

Systemtic Name: tert-butyl 6-cyano-2-ethyl-3-phenyl-4-pyrrolidin-3-yloxy-indole-1-carboxylate Openeye Name: tert-butyl 6-cyano-2-ethyl-3-phenyl-4-pyrrolidin-3-yloxy-indole-1-carboxylate CAS Name: 6-cyano-2-ethyl-3-phenyl-4-(3-pyrrolidinyloxy)-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 6-cyano-2-ethyl-3-phenyl-4-pyrrolidin-3-yloxyindole-1-carboxylate Traditional Name: 6-cyano-2-ethyl-3-phenyl-4-pyrrolidin-3-yloxy-indole-1-carboxylic acid tert-butyl ester Formula: C26H29N3O3 MolecularWeight: 431.52676

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(N1C(=O)OC(C)(C)C)C=C(C=C2OC3CCNC3)C#N)C4=CC=CC=C4

Isomeric SMILES

CCC1=C(C2=C(N1C(=O)OC(C)(C)C)C=C(C=C2OC3CCNC3)C#N)C4=CC=CC=C4

InChI

InChI=1S/C26H29N3O3/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/h6-10,13-14,19,28H,5,11-12,16H2,1-4H3