tert-butyl (2S,4R)-2-cyano-4-[2-methylpropyl-[(2-phenylphenyl)methyl]amino]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl (2S,4R)-2-cyano-4-[2-methylpropyl-[(2-phenylphenyl)methyl]amino]pyrrolidine-1-carboxylate Openeye Name: tert-butyl (2S,4R)-2-cyano-4-[isobutyl-[(2-phenylphenyl)methyl]amino]pyrrolidine-1-carboxylate CAS Name: (2S,4R)-2-cyano-4-[2-methylpropyl-[(2-phenylphenyl)methyl]amino]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S,4R)-2-cyano-4-[2-methylpropyl-[(2-phenylphenyl)methyl]amino]pyrrolidine-1-carboxylate Traditional Name: (2S,4R)-2-cyano-4-[isobutyl-(2-phenylbenzyl)amino]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C27H35N3O2 MolecularWeight: 433.5857

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC1=CC=CC=C1C2=CC=CC=C2)C3CC(N(C3)C(=O)OC(C)(C)C)C#N

Isomeric SMILES

CC(C)CN(CC1=CC=CC=C1C2=CC=CC=C2)[C@@H]3C[C@H](N(C3)C(=O)OC(C)(C)C)C#N

InChI

InChI=1S/C27H35N3O2/c1-20(2)17-29(18-22-13-9-10-14-25(22)21-11-7-6-8-12-21)24-15-23(16-28)30(19-24)26(31)32-27(3,4)5/h6-14,20,23-24H,15,17-19H2,1-5H3/t23-,24+/m0/s1