tert-butyl 3-[4-[1-(6-cyano-1H-indol-2-yl)-3-oxidanyl-propan-2-yl]phenoxy]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 3-[4-[1-(6-cyano-1H-indol-2-yl)-3-oxidanyl-propan-2-yl]phenoxy]pyrrolidine-1-carboxylate Openeye Name: tert-butyl 3-[4-[1-[(6-cyano-1H-indol-2-yl)methyl]-2-hydroxy-ethyl]phenoxy]pyrrolidine-1-carboxylate CAS Name: 3-[4-[1-(6-cyano-1H-indol-2-yl)-3-hydroxypropan-2-yl]phenoxy]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[4-[1-(6-cyano-1H-indol-2-yl)-3-hydroxypropan-2-yl]phenoxy]pyrrolidine-1-carboxylate Traditional Name: 3-[4-[1-[(6-cyano-1H-indol-2-yl)methyl]-2-hydroxy-ethyl]phenoxy]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C27H31N3O4 MolecularWeight: 461.55274

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(C1)OC2=CC=C(C=C2)C(CC3=CC4=C(N3)C=C(C=C4)C#N)CO

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(C1)OC2=CC=C(C=C2)C(CC3=CC4=C(N3)C=C(C=C4)C#N)CO

InChI

InChI=1S/C27H31N3O4/c1-27(2,3)34-26(32)30-11-10-24(16-30)33-23-8-6-19(7-9-23)21(17-31)14-22-13-20-5-4-18(15-28)12-25(20)29-22/h4-9,12-13,21,24,29,31H,10-11,14,16-17H2,1-3H3