tert-butyl 3-[(3-pyrrolidin-1-ylcarbonylphenyl)carbamoyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 3-[(3-pyrrolidin-1-ylcarbonylphenyl)carbamoyl]piperidine-1-carboxylate Openeye Name: tert-butyl 3-[[3-(pyrrolidine-1-carbonyl)phenyl]carbamoyl]piperidine-1-carboxylate CAS Name: 3-[oxo-[3-[oxo(1-pyrrolidinyl)methyl]anilino]methyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[[3-(pyrrolidine-1-carbonyl)phenyl]carbamoyl]piperidine-1-carboxylate Traditional Name: 3-[[3-(pyrrolidine-1-carbonyl)phenyl]carbamoyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C22H31N3O4 MolecularWeight: 401.49924

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC(C1)C(=O)NC2=CC=CC(=C2)C(=O)N3CCCC3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC(C1)C(=O)NC2=CC=CC(=C2)C(=O)N3CCCC3

InChI

InChI=1S/C22H31N3O4/c1-22(2,3)29-21(28)25-13-7-9-17(15-25)19(26)23-18-10-6-8-16(14-18)20(27)24-11-4-5-12-24/h6,8,10,14,17H,4-5,7,9,11-13,15H2,1-3H3,(H,23,26)