(2S)-2-[4-[3-(2-piperidin-4-yloxyethanoylamino)propanoyl]phenoxy]butanoic acid

Systemtic Name: (2S)-2-[4-[3-(2-piperidin-4-yloxyethanoylamino)propanoyl]phenoxy]butanoic acid Openeye Name: (2S)-2-[4-[3-[[2-(4-piperidyloxy)acetyl]amino]propanoyl]phenoxy]butanoic acid CAS Name: (2S)-2-[4-[1-oxo-3-[[1-oxo-2-(4-piperidinyloxy)ethyl]amino]propyl]phenoxy]butanoic acid IUPAC Name: (2S)-2-[4-[3-[(2-piperidin-4-yloxyacetyl)amino]propanoyl]phenoxy]butanoic acid Traditional Name: (2S)-2-[4-[3-[[2-(4-piperidyloxy)acetyl]amino]propanoyl]phenoxy]butyric acid Formula: C20H28N2O6 MolecularWeight: 392.44612

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)OC1=CC=C(C=C1)C(=O)CCNC(=O)COC2CCNCC2

Isomeric SMILES

CC[C@@H](C(=O)O)OC1=CC=C(C=C1)C(=O)CCNC(=O)COC2CCNCC2

InChI

InChI=1S/C20H28N2O6/c1-2-18(20(25)26)28-16-5-3-14(4-6-16)17(23)9-12-22-19(24)13-27-15-7-10-21-11-8-15/h3-6,15,18,21H,2,7-13H2,1H3,(H,22,24)(H,25,26)/t18-/m0/s1