[2-(4-aminocarbonylpiperidin-1-yl)-2-oxidanylidene-ethyl] (2S)-2-(4-tert-butylphenoxy)propanoate

Systemtic Name: [2-(4-aminocarbonylpiperidin-1-yl)-2-oxidanylidene-ethyl] (2S)-2-(4-tert-butylphenoxy)propanoate Openeye Name: [2-(4-carbamoyl-1-piperidyl)-2-oxo-ethyl] (2S)-2-(4-tert-butylphenoxy)propanoate CAS Name: (2S)-2-(4-tert-butylphenoxy)propanoic acid [2-(4-carbamoyl-1-piperidinyl)-2-oxoethyl] ester IUPAC Name: [2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] (2S)-2-(4-tert-butylphenoxy)propanoate Traditional Name: (2S)-2-(4-tert-butylphenoxy)propionic acid [2-(4-carbamoylpiperidino)-2-keto-ethyl] ester Formula: C21H30N2O5 MolecularWeight: 390.4733

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)N1CCC(CC1)C(=O)N)OC2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

C[C@@H](C(=O)OCC(=O)N1CCC(CC1)C(=O)N)OC2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C21H30N2O5/c1-14(28-17-7-5-16(6-8-17)21(2,3)4)20(26)27-13-18(24)23-11-9-15(10-12-23)19(22)25/h5-8,14-15H,9-13H2,1-4H3,(H2,22,25)/t14-/m0/s1