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

Systemtic Name: (2S)-2-(3-phenylpropanoylamino)-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid Openeye Name: (2S)-2-(3-phenylpropanoylamino)-3-[4-[4-(4-piperidyl)butoxy]phenyl]propanoic acid CAS Name: (2S)-2-[(1-oxo-3-phenylpropyl)amino]-3-[4-[4-(4-piperidinyl)butoxy]phenyl]propanoic acid IUPAC Name: (2S)-2-(3-phenylpropanoylamino)-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid Traditional Name: (2S)-2-(hydrocinnamoylamino)-3-[4-[4-(4-piperidyl)butoxy]phenyl]propionic acid Formula: C27H36N2O4 MolecularWeight: 452.58574

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1CCCCOC2=CC=C(C=C2)CC(C(=O)O)NC(=O)CCC3=CC=CC=C3

Isomeric SMILES

C1CNCCC1CCCCOC2=CC=C(C=C2)C[C@@H](C(=O)O)NC(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C27H36N2O4/c30-26(14-11-21-6-2-1-3-7-21)29-25(27(31)32)20-23-9-12-24(13-10-23)33-19-5-4-8-22-15-17-28-18-16-22/h1-3,6-7,9-10,12-13,22,25,28H,4-5,8,11,14-20H2,(H,29,30)(H,31,32)/t25-/m0/s1