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

Systemtic Name: tert-butyl 3-[4-[3-(6-cyano-1H-indol-2-yl)-1-methoxy-1-oxidanylidene-propan-2-yl]phenoxy]pyrrolidine-1-carboxylate Openeye Name: tert-butyl 3-[4-[1-[(6-cyano-1H-indol-2-yl)methyl]-2-methoxy-2-oxo-ethyl]phenoxy]pyrrolidine-1-carboxylate CAS Name: 3-[4-[3-(6-cyano-1H-indol-2-yl)-1-methoxy-1-oxopropan-2-yl]phenoxy]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[4-[3-(6-cyano-1H-indol-2-yl)-1-methoxy-1-oxopropan-2-yl]phenoxy]pyrrolidine-1-carboxylate Traditional Name: 3-[4-[1-[(6-cyano-1H-indol-2-yl)methyl]-2-keto-2-methoxy-ethyl]phenoxy]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C28H31N3O5 MolecularWeight: 489.56284

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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)C(=O)OC

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)C(=O)OC

InChI

InChI=1S/C28H31N3O5/c1-28(2,3)36-27(33)31-12-11-23(17-31)35-22-9-7-19(8-10-22)24(26(32)34-4)15-21-14-20-6-5-18(16-29)13-25(20)30-21/h5-10,13-14,23-24,30H,11-12,15,17H2,1-4H3