3-(4-ethoxyphenyl)-3-[6-[3-(1H-imidazol-2-ylamino)propoxy]-1H-indol-3-yl]propanoic acid

Systemtic Name: 3-(4-ethoxyphenyl)-3-[6-[3-(1H-imidazol-2-ylamino)propoxy]-1H-indol-3-yl]propanoic acid Openeye Name: 3-(4-ethoxyphenyl)-3-[6-[3-(1H-imidazol-2-ylamino)propoxy]-1H-indol-3-yl]propanoic acid CAS Name: 3-(4-ethoxyphenyl)-3-[6-[3-(1H-imidazol-2-ylamino)propoxy]-1H-indol-3-yl]propanoic acid IUPAC Name: 3-(4-ethoxyphenyl)-3-[6-[3-(1H-imidazol-2-ylamino)propoxy]-1H-indol-3-yl]propanoic acid Traditional Name: 3-[6-[3-(1H-imidazol-2-ylamino)propoxy]-1H-indol-3-yl]-3-p-phenetyl-propionic acid Formula: C25H28N4O4 MolecularWeight: 448.51422

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(CC(=O)O)C2=CNC3=C2C=CC(=C3)OCCCNC4=NC=CN4

Isomeric SMILES

CCOC1=CC=C(C=C1)C(CC(=O)O)C2=CNC3=C2C=CC(=C3)OCCCNC4=NC=CN4

InChI

InChI=1S/C25H28N4O4/c1-2-32-18-6-4-17(5-7-18)21(15-24(30)31)22-16-29-23-14-19(8-9-20(22)23)33-13-3-10-26-25-27-11-12-28-25/h4-9,11-12,14,16,21,29H,2-3,10,13,15H2,1H3,(H,30,31)(H2,26,27,28)