(3S)-3-(phenylmethoxycarbonylamino)-4-[4-(3-piperidin-4-ylpropoxy)phenyl]butanoic acid

Systemtic Name: (3S)-3-(phenylmethoxycarbonylamino)-4-[4-(3-piperidin-4-ylpropoxy)phenyl]butanoic acid Openeye Name: (3S)-3-(benzyloxycarbonylamino)-4-[4-[3-(4-piperidyl)propoxy]phenyl]butanoic acid CAS Name: (3S)-3-(phenylmethoxycarbonylamino)-4-[4-[3-(4-piperidinyl)propoxy]phenyl]butanoic acid IUPAC Name: (3S)-3-(phenylmethoxycarbonylamino)-4-[4-(3-piperidin-4-ylpropoxy)phenyl]butanoic acid Traditional Name: (3S)-3-(benzyloxycarbonylamino)-4-[4-[3-(4-piperidyl)propoxy]phenyl]butyric acid Formula: C26H34N2O5 MolecularWeight: 454.55856

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1CCCOC2=CC=C(C=C2)CC(CC(=O)O)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1CNCCC1CCCOC2=CC=C(C=C2)C[C@@H](CC(=O)O)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C26H34N2O5/c29-25(30)18-23(28-26(31)33-19-22-5-2-1-3-6-22)17-21-8-10-24(11-9-21)32-16-4-7-20-12-14-27-15-13-20/h1-3,5-6,8-11,20,23,27H,4,7,12-19H2,(H,28,31)(H,29,30)/t23-/m0/s1