tert-butyl (3S)-3-[[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]carbamoyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl (3S)-3-[[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]carbamoyl]piperidine-1-carboxylate Openeye Name: tert-butyl (3S)-3-[[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]carbamoyl]piperidine-1-carboxylate CAS Name: (3S)-3-[[[(1S)-1-[4-(1-imidazolyl)phenyl]ethyl]amino]-oxomethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3S)-3-[[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]carbamoyl]piperidine-1-carboxylate Traditional Name: (3S)-3-[[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]carbamoyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C22H30N4O3 MolecularWeight: 398.4986

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)N2C=CN=C2)NC(=O)C3CCCN(C3)C(=O)OC(C)(C)C

Isomeric SMILES

C[C@@H](C1=CC=C(C=C1)N2C=CN=C2)NC(=O)[C@H]3CCCN(C3)C(=O)OC(C)(C)C

InChI

InChI=1S/C22H30N4O3/c1-16(17-7-9-19(10-8-17)26-13-11-23-15-26)24-20(27)18-6-5-12-25(14-18)21(28)29-22(2,3)4/h7-11,13,15-16,18H,5-6,12,14H2,1-4H3,(H,24,27)/t16-,18-/m0/s1