tert-butyl (2S)-4-(4-cyanophenoxy)-2-[(4-cyclobutyl-1,4-diazepan-1-yl)carbonyl]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl (2S)-4-(4-cyanophenoxy)-2-[(4-cyclobutyl-1,4-diazepan-1-yl)carbonyl]pyrrolidine-1-carboxylate Openeye Name: tert-butyl (2S)-4-(4-cyanophenoxy)-2-(4-cyclobutyl-1,4-diazepane-1-carbonyl)pyrrolidine-1-carboxylate CAS Name: (2S)-4-(4-cyanophenoxy)-2-[(4-cyclobutyl-1,4-diazepan-1-yl)-oxomethyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-4-(4-cyanophenoxy)-2-(4-cyclobutyl-1,4-diazepane-1-carbonyl)pyrrolidine-1-carboxylate Traditional Name: (2S)-4-(4-cyanophenoxy)-2-(4-cyclobutyl-1,4-diazepane-1-carbonyl)pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C26H36N4O4 MolecularWeight: 468.58844

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC(CC1C(=O)N2CCCN(CC2)C3CCC3)OC4=CC=C(C=C4)C#N

Isomeric SMILES

CC(C)(C)OC(=O)N1CC(C[C@H]1C(=O)N2CCCN(CC2)C3CCC3)OC4=CC=C(C=C4)C#N

InChI

InChI=1S/C26H36N4O4/c1-26(2,3)34-25(32)30-18-22(33-21-10-8-19(17-27)9-11-21)16-23(30)24(31)29-13-5-12-28(14-15-29)20-6-4-7-20/h8-11,20,22-23H,4-7,12-16,18H2,1-3H3/t22?,23-/m0/s1