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

Systemtic Name: 3-[6-[3-(1H-imidazol-2-ylamino)propoxy]-1H-indol-3-yl]-3-(2-methylphenyl)propanoic acid Openeye Name: 3-[6-[3-(1H-imidazol-2-ylamino)propoxy]-1H-indol-3-yl]-3-(o-tolyl)propanoic acid CAS Name: 3-[6-[3-(1H-imidazol-2-ylamino)propoxy]-1H-indol-3-yl]-3-(2-methylphenyl)propanoic acid IUPAC Name: 3-[6-[3-(1H-imidazol-2-ylamino)propoxy]-1H-indol-3-yl]-3-(2-methylphenyl)propanoic acid Traditional Name: 3-[6-[3-(1H-imidazol-2-ylamino)propoxy]-1H-indol-3-yl]-3-(o-tolyl)propionic acid Formula: C24H26N4O3 MolecularWeight: 418.48824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(CC(=O)O)C2=CNC3=C2C=CC(=C3)OCCCNC4=NC=CN4

Isomeric SMILES

CC1=CC=CC=C1C(CC(=O)O)C2=CNC3=C2C=CC(=C3)OCCCNC4=NC=CN4

InChI

InChI=1S/C24H26N4O3/c1-16-5-2-3-6-18(16)20(14-23(29)30)21-15-28-22-13-17(7-8-19(21)22)31-12-4-9-25-24-26-10-11-27-24/h2-3,5-8,10-11,13,15,20,28H,4,9,12,14H2,1H3,(H,29,30)(H2,25,26,27)