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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C(CC(=O)O)C2=CNC3=C2C=CC(=C3)OCCCNC4=NC=CN4

Isomeric SMILES

CC1=CC(=CC=C1)C(CC(=O)O)C2=CNC3=C2C=CC(=C3)OCCCNC4=NC=CN4

InChI

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