3-[4-(4-azanylbutoxy)phenyl]-2-(phenylmethoxycarbonylamino)propanoic acid

Systemtic Name: 3-[4-(4-azanylbutoxy)phenyl]-2-(phenylmethoxycarbonylamino)propanoic acid Openeye Name: 3-[4-(4-aminobutoxy)phenyl]-2-(benzyloxycarbonylamino)propanoic acid CAS Name: 3-[4-(4-aminobutoxy)phenyl]-2-(phenylmethoxycarbonylamino)propanoic acid IUPAC Name: 3-[4-(4-aminobutoxy)phenyl]-2-(phenylmethoxycarbonylamino)propanoic acid Traditional Name: 3-[4-(4-aminobutoxy)phenyl]-2-(benzyloxycarbonylamino)propionic acid Formula: C21H26N2O5 MolecularWeight: 386.44154

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC(CC2=CC=C(C=C2)OCCCCN)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NC(CC2=CC=C(C=C2)OCCCCN)C(=O)O

InChI

InChI=1S/C21H26N2O5/c22-12-4-5-13-27-18-10-8-16(9-11-18)14-19(20(24)25)23-21(26)28-15-17-6-2-1-3-7-17/h1-3,6-11,19H,4-5,12-15,22H2,(H,23,26)(H,24,25)