tert-butyl 3-[2-cyclohexylethyl(pyridin-4-ylmethylcarbamoyl)amino]propanoate

Systemtic Name: tert-butyl 3-[2-cyclohexylethyl(pyridin-4-ylmethylcarbamoyl)amino]propanoate Openeye Name: tert-butyl 3-[2-cyclohexylethyl(4-pyridylmethylcarbamoyl)amino]propanoate CAS Name: 3-[2-cyclohexylethyl-[oxo-(pyridin-4-ylmethylamino)methyl]amino]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[2-cyclohexylethyl(pyridin-4-ylmethylcarbamoyl)amino]propanoate Traditional Name: 3-[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)(C)OC(=O)CCN(CCC1CCCCC1)C(=O)NCC2=CC=NC=C2

Isomeric SMILES

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

InChI

InChI=1S/C22H35N3O3/c1-22(2,3)28-20(26)12-16-25(15-11-18-7-5-4-6-8-18)21(27)24-17-19-9-13-23-14-10-19/h9-10,13-14,18H,4-8,11-12,15-17H2,1-3H3,(H,24,27)