tert-butyl 4-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylcarbamoyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylcarbamoyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylcarbamoyl]piperidine-1-carboxylate CAS Name: 4-[oxo-[[2-(1-pyrrolidinylmethyl)phenyl]methylamino]methyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylcarbamoyl]piperidine-1-carboxylate Traditional Name: 4-[[2-(pyrrolidinomethyl)benzyl]carbamoyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C23H35N3O3 MolecularWeight: 401.5423

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)C(=O)NCC2=CC=CC=C2CN3CCCC3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C(=O)NCC2=CC=CC=C2CN3CCCC3

InChI

InChI=1S/C23H35N3O3/c1-23(2,3)29-22(28)26-14-10-18(11-15-26)21(27)24-16-19-8-4-5-9-20(19)17-25-12-6-7-13-25/h4-5,8-9,18H,6-7,10-17H2,1-3H3,(H,24,27)