tert-butyl 2-[2-cyclohexylethyl(pyridin-4-ylmethylcarbamoyl)amino]propanoate

Systemtic Name: tert-butyl 2-[2-cyclohexylethyl(pyridin-4-ylmethylcarbamoyl)amino]propanoate Openeye Name: tert-butyl 2-[2-cyclohexylethyl(4-pyridylmethylcarbamoyl)amino]propanoate CAS Name: 2-[2-cyclohexylethyl-[oxo-(pyridin-4-ylmethylamino)methyl]amino]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[2-cyclohexylethyl(pyridin-4-ylmethylcarbamoyl)amino]propanoate Traditional Name: 2-[2-cyclohexylethyl(4-pyridylmethylcarbamoyl)amino]propionic acid tert-butyl ester Formula: C22H35N3O3 MolecularWeight: 389.5316

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC(C)(C)C)N(CCC1CCCCC1)C(=O)NCC2=CC=NC=C2

Isomeric SMILES

CC(C(=O)OC(C)(C)C)N(CCC1CCCCC1)C(=O)NCC2=CC=NC=C2

InChI

InChI=1S/C22H35N3O3/c1-17(20(26)28-22(2,3)4)25(15-12-18-8-6-5-7-9-18)21(27)24-16-19-10-13-23-14-11-19/h10-11,13-14,17-18H,5-9,12,15-16H2,1-4H3,(H,24,27)