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

Systemtic Name: tert-butyl (2S,4S)-2-[(4-cyclobutyl-1,4-diazepan-1-yl)carbonyl]-4-phenoxy-pyrrolidine-1-carboxylate Openeye Name: tert-butyl (2S,4S)-2-(4-cyclobutyl-1,4-diazepane-1-carbonyl)-4-phenoxy-pyrrolidine-1-carboxylate CAS Name: (2S,4S)-2-[(4-cyclobutyl-1,4-diazepan-1-yl)-oxomethyl]-4-phenoxy-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S,4S)-2-(4-cyclobutyl-1,4-diazepane-1-carbonyl)-4-phenoxypyrrolidine-1-carboxylate Traditional Name: (2S,4S)-2-(4-cyclobutyl-1,4-diazepane-1-carbonyl)-4-phenoxy-pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C25H37N3O4 MolecularWeight: 443.57898

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)(C)OC(=O)N1C[C@H](C[C@H]1C(=O)N2CCCN(CC2)C3CCC3)OC4=CC=CC=C4

InChI

InChI=1S/C25H37N3O4/c1-25(2,3)32-24(30)28-18-21(31-20-11-5-4-6-12-20)17-22(28)23(29)27-14-8-13-26(15-16-27)19-9-7-10-19/h4-6,11-12,19,21-22H,7-10,13-18H2,1-3H3/t21-,22-/m0/s1