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

Systemtic Name: tert-butyl (2R,4S)-4-(4-cyanophenoxy)-2-[(4-cyclopentyl-1,4-diazepan-1-yl)carbonyl]pyrrolidine-1-carboxylate Openeye Name: tert-butyl (2R,4S)-4-(4-cyanophenoxy)-2-(4-cyclopentyl-1,4-diazepane-1-carbonyl)pyrrolidine-1-carboxylate CAS Name: (2R,4S)-4-(4-cyanophenoxy)-2-[(4-cyclopentyl-1,4-diazepan-1-yl)-oxomethyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2R,4S)-4-(4-cyanophenoxy)-2-(4-cyclopentyl-1,4-diazepane-1-carbonyl)pyrrolidine-1-carboxylate Traditional Name: (2R,4S)-4-(4-cyanophenoxy)-2-(4-cyclopentyl-1,4-diazepane-1-carbonyl)pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C27H38N4O4 MolecularWeight: 482.61502

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC(CC1C(=O)N2CCCN(CC2)C3CCCC3)OC4=CC=C(C=C4)C#N

Isomeric SMILES

CC(C)(C)OC(=O)N1C[C@H](C[C@@H]1C(=O)N2CCCN(CC2)C3CCCC3)OC4=CC=C(C=C4)C#N

InChI

InChI=1S/C27H38N4O4/c1-27(2,3)35-26(33)31-19-23(34-22-11-9-20(18-28)10-12-22)17-24(31)25(32)30-14-6-13-29(15-16-30)21-7-4-5-8-21/h9-12,21,23-24H,4-8,13-17,19H2,1-3H3/t23-,24+/m0/s1