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

Systemtic Name: (2S)-2-(hexanoylamino)-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid Openeye Name: (2S)-2-(hexanoylamino)-3-[4-[4-(4-piperidyl)butoxy]phenyl]propanoic acid CAS Name: (2S)-2-(1-oxohexylamino)-3-[4-[4-(4-piperidinyl)butoxy]phenyl]propanoic acid IUPAC Name: (2S)-2-(hexanoylamino)-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid Traditional Name: (2S)-2-(caproylamino)-3-[4-[4-(4-piperidyl)butoxy]phenyl]propionic acid Formula: C24H38N2O4 MolecularWeight: 418.56952

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H38N2O4/c1-2-3-4-8-23(27)26-22(24(28)29)18-20-9-11-21(12-10-20)30-17-6-5-7-19-13-15-25-16-14-19/h9-12,19,22,25H,2-8,13-18H2,1H3,(H,26,27)(H,28,29)/t22-/m0/s1