3-[6-[4-(4,5-dihydro-1H-imidazol-2-ylamino)butoxy]-1H-indol-3-yl]-3-phenyl-propanoic acid

Systemtic Name: 3-[6-[4-(4,5-dihydro-1H-imidazol-2-ylamino)butoxy]-1H-indol-3-yl]-3-phenyl-propanoic acid Openeye Name: 3-[6-[4-(4,5-dihydro-1H-imidazol-2-ylamino)butoxy]-1H-indol-3-yl]-3-phenyl-propanoic acid CAS Name: 3-[6-[4-(4,5-dihydro-1H-imidazol-2-ylamino)butoxy]-1H-indol-3-yl]-3-phenylpropanoic acid IUPAC Name: 3-[6-[4-(4,5-dihydro-1H-imidazol-2-ylamino)butoxy]-1H-indol-3-yl]-3-phenylpropanoic acid Traditional Name: 3-[6-[4-(2-imidazolin-2-ylamino)butoxy]-1H-indol-3-yl]-3-phenyl-propionic acid Formula: C24H28N4O3 MolecularWeight: 420.50412

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Descriptors Computed from Structure

Canonical SMILES:

C1CN=C(N1)NCCCCOC2=CC3=C(C=C2)C(=CN3)C(CC(=O)O)C4=CC=CC=C4

Isomeric SMILES

C1CN=C(N1)NCCCCOC2=CC3=C(C=C2)C(=CN3)C(CC(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C24H28N4O3/c29-23(30)15-20(17-6-2-1-3-7-17)21-16-28-22-14-18(8-9-19(21)22)31-13-5-4-10-25-24-26-11-12-27-24/h1-3,6-9,14,16,20,28H,4-5,10-13,15H2,(H,29,30)(H2,25,26,27)