tert-butyl 2-(2-cyanopyrrolidin-1-yl)carbonyl-4-[(4-phenoxyphenyl)methylamino]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 2-(2-cyanopyrrolidin-1-yl)carbonyl-4-[(4-phenoxyphenyl)methylamino]pyrrolidine-1-carboxylate Openeye Name: tert-butyl 2-(2-cyanopyrrolidine-1-carbonyl)-4-[(4-phenoxyphenyl)methylamino]pyrrolidine-1-carboxylate CAS Name: 2-[(2-cyano-1-pyrrolidinyl)-oxomethyl]-4-[(4-phenoxyphenyl)methylamino]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-(2-cyanopyrrolidine-1-carbonyl)-4-[(4-phenoxyphenyl)methylamino]pyrrolidine-1-carboxylate Traditional Name: 2-(2-cyanopyrrolidine-1-carbonyl)-4-[(4-phenoxybenzyl)amino]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C28H34N4O4 MolecularWeight: 490.59396

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC(CC1C(=O)N2CCCC2C#N)NCC3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)N1CC(CC1C(=O)N2CCCC2C#N)NCC3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C28H34N4O4/c1-28(2,3)36-27(34)32-19-21(16-25(32)26(33)31-15-7-8-22(31)17-29)30-18-20-11-13-24(14-12-20)35-23-9-5-4-6-10-23/h4-6,9-14,21-22,25,30H,7-8,15-16,18-19H2,1-3H3