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

Systemtic Name: tert-butyl 4-[[2-(imidazol-1-ylmethyl)phenyl]methylcarbamoyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[2-(imidazol-1-ylmethyl)phenyl]methylcarbamoyl]piperidine-1-carboxylate CAS Name: 4-[[[2-(1-imidazolylmethyl)phenyl]methylamino]-oxomethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[2-(imidazol-1-ylmethyl)phenyl]methylcarbamoyl]piperidine-1-carboxylate Traditional Name: 4-[[2-(imidazol-1-ylmethyl)benzyl]carbamoyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C22H30N4O3 MolecularWeight: 398.4986

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)C(=O)NCC2=CC=CC=C2CN3C=CN=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C(=O)NCC2=CC=CC=C2CN3C=CN=C3

InChI

InChI=1S/C22H30N4O3/c1-22(2,3)29-21(28)26-11-8-17(9-12-26)20(27)24-14-18-6-4-5-7-19(18)15-25-13-10-23-16-25/h4-7,10,13,16-17H,8-9,11-12,14-15H2,1-3H3,(H,24,27)