(2S)-3-[4-(4-piperidin-4-ylbutoxy)phenyl]-2-(propanoylamino)propanoic acid

Systemtic Name: (2S)-3-[4-(4-piperidin-4-ylbutoxy)phenyl]-2-(propanoylamino)propanoic acid Openeye Name: (2S)-3-[4-[4-(4-piperidyl)butoxy]phenyl]-2-(propanoylamino)propanoic acid CAS Name: (2S)-2-(1-oxopropylamino)-3-[4-[4-(4-piperidinyl)butoxy]phenyl]propanoic acid IUPAC Name: (2S)-3-[4-(4-piperidin-4-ylbutoxy)phenyl]-2-(propanoylamino)propanoic acid Traditional Name: (2S)-3-[4-[4-(4-piperidyl)butoxy]phenyl]-2-propionamido-propionic acid Formula: C21H32N2O4 MolecularWeight: 376.48978

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC(CC1=CC=C(C=C1)OCCCCC2CCNCC2)C(=O)O

Isomeric SMILES

CCC(=O)N[C@@H](CC1=CC=C(C=C1)OCCCCC2CCNCC2)C(=O)O

InChI

InChI=1S/C21H32N2O4/c1-2-20(24)23-19(21(25)26)15-17-6-8-18(9-7-17)27-14-4-3-5-16-10-12-22-13-11-16/h6-9,16,19,22H,2-5,10-15H2,1H3,(H,23,24)(H,25,26)/t19-/m0/s1