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

Systemtic Name: 3-[6-[3-(1H-imidazol-2-ylamino)propoxy]-1H-indol-3-yl]-3-(4-methoxyphenyl)propanoic acid Openeye Name: 3-[6-[3-(1H-imidazol-2-ylamino)propoxy]-1H-indol-3-yl]-3-(4-methoxyphenyl)propanoic acid CAS Name: 3-[6-[3-(1H-imidazol-2-ylamino)propoxy]-1H-indol-3-yl]-3-(4-methoxyphenyl)propanoic acid IUPAC Name: 3-[6-[3-(1H-imidazol-2-ylamino)propoxy]-1H-indol-3-yl]-3-(4-methoxyphenyl)propanoic acid Traditional Name: 3-[6-[3-(1H-imidazol-2-ylamino)propoxy]-1H-indol-3-yl]-3-(4-methoxyphenyl)propionic acid Formula: C24H26N4O4 MolecularWeight: 434.48764

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CC(=O)O)C2=CNC3=C2C=CC(=C3)OCCCNC4=NC=CN4

Isomeric SMILES

COC1=CC=C(C=C1)C(CC(=O)O)C2=CNC3=C2C=CC(=C3)OCCCNC4=NC=CN4

InChI

InChI=1S/C24H26N4O4/c1-31-17-5-3-16(4-6-17)20(14-23(29)30)21-15-28-22-13-18(7-8-19(21)22)32-12-2-9-25-24-26-10-11-27-24/h3-8,10-11,13,15,20,28H,2,9,12,14H2,1H3,(H,29,30)(H2,25,26,27)