2-[3-(4,5-dihydro-1H-imidazol-2-ylamino)propoxy]-2-(1H-indol-3-yl)-3-phenyl-propanoic acid

Systemtic Name: 2-[3-(4,5-dihydro-1H-imidazol-2-ylamino)propoxy]-2-(1H-indol-3-yl)-3-phenyl-propanoic acid Openeye Name: 2-[3-(4,5-dihydro-1H-imidazol-2-ylamino)propoxy]-2-(1H-indol-3-yl)-3-phenyl-propanoic acid CAS Name: 2-[3-(4,5-dihydro-1H-imidazol-2-ylamino)propoxy]-2-(1H-indol-3-yl)-3-phenylpropanoic acid IUPAC Name: 2-[3-(4,5-dihydro-1H-imidazol-2-ylamino)propoxy]-2-(1H-indol-3-yl)-3-phenylpropanoic acid Traditional Name: 2-[3-(2-imidazolin-2-ylamino)propoxy]-2-(1H-indol-3-yl)-3-phenyl-propionic acid Formula: C23H26N4O3 MolecularWeight: 406.47754

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Descriptors Computed from Structure

Canonical SMILES:

C1CN=C(N1)NCCCOC(CC2=CC=CC=C2)(C3=CNC4=CC=CC=C43)C(=O)O

Isomeric SMILES

C1CN=C(N1)NCCCOC(CC2=CC=CC=C2)(C3=CNC4=CC=CC=C43)C(=O)O

InChI

InChI=1S/C23H26N4O3/c28-21(29)23(15-17-7-2-1-3-8-17,19-16-27-20-10-5-4-9-18(19)20)30-14-6-11-24-22-25-12-13-26-22/h1-5,7-10,16,27H,6,11-15H2,(H,28,29)(H2,24,25,26)