tert-butyl (2S)-2-[(4-piperidin-1-ylphenyl)carbamoyl]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl (2S)-2-[(4-piperidin-1-ylphenyl)carbamoyl]pyrrolidine-1-carboxylate Openeye Name: tert-butyl (2S)-2-[[4-(1-piperidyl)phenyl]carbamoyl]pyrrolidine-1-carboxylate CAS Name: (2S)-2-[oxo-[4-(1-piperidinyl)anilino]methyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[(4-piperidin-1-ylphenyl)carbamoyl]pyrrolidine-1-carboxylate Traditional Name: (2S)-2-[(4-piperidinophenyl)carbamoyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C21H31N3O3 MolecularWeight: 373.48914

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC1C(=O)NC2=CC=C(C=C2)N3CCCCC3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NC2=CC=C(C=C2)N3CCCCC3

InChI

InChI=1S/C21H31N3O3/c1-21(2,3)27-20(26)24-15-7-8-18(24)19(25)22-16-9-11-17(12-10-16)23-13-5-4-6-14-23/h9-12,18H,4-8,13-15H2,1-3H3,(H,22,25)/t18-/m0/s1