tert-butyl 2-cyano-4-[(4-phenoxyphenyl)methylamino]-2-pyrrolidin-2-ylcarbonyl-pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 2-cyano-4-[(4-phenoxyphenyl)methylamino]-2-pyrrolidin-2-ylcarbonyl-pyrrolidine-1-carboxylate Openeye Name: tert-butyl 2-cyano-4-[(4-phenoxyphenyl)methylamino]-2-(pyrrolidine-2-carbonyl)pyrrolidine-1-carboxylate CAS Name: 2-cyano-2-[oxo(2-pyrrolidinyl)methyl]-4-[(4-phenoxyphenyl)methylamino]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-cyano-4-[(4-phenoxyphenyl)methylamino]-2-(pyrrolidine-2-carbonyl)pyrrolidine-1-carboxylate Traditional Name: 2-cyano-4-[(4-phenoxybenzyl)amino]-2-prolyl-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(CC1(C#N)C(=O)C2CCCN2)NCC3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)N1CC(CC1(C#N)C(=O)C2CCCN2)NCC3=CC=C(C=C3)OC4=CC=CC=C4

InChI

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