1,4-dioxane; 3-phenyl-3-[6-[4-(pyridin-2-ylamino)butoxy]-1H-indol-3-yl]propanoic acid

Systemtic Name: 1,4-dioxane; 3-phenyl-3-[6-[4-(pyridin-2-ylamino)butoxy]-1H-indol-3-yl]propanoic acid Openeye Name: 1,4-dioxane; 3-phenyl-3-[6-[4-(2-pyridylamino)butoxy]-1H-indol-3-yl]propanoic acid CAS Name: 1,4-dioxane; 3-phenyl-3-[6-[4-(2-pyridinylamino)butoxy]-1H-indol-3-yl]propanoic acid IUPAC Name: 1,4-dioxane; 3-phenyl-3-[6-[4-(pyridin-2-ylamino)butoxy]-1H-indol-3-yl]propanoic acid Traditional Name: 1,4-dioxane; 3-phenyl-3-[6-[4-(2-pyridylamino)butoxy]-1H-indol-3-yl]propionic acid Formula: C30H35N3O5 MolecularWeight: 517.616

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCO1.C1=CC=C(C=C1)C(CC(=O)O)C2=CNC3=C2C=CC(=C3)OCCCCNC4=CC=CC=N4

Isomeric SMILES

C1COCCO1.C1=CC=C(C=C1)C(CC(=O)O)C2=CNC3=C2C=CC(=C3)OCCCCNC4=CC=CC=N4

InChI

InChI=1S/C26H27N3O3.C4H8O2/c30-26(31)17-22(19-8-2-1-3-9-19)23-18-29-24-16-20(11-12-21(23)24)32-15-7-6-14-28-25-10-4-5-13-27-25;1-2-6-4-3-5-1/h1-5,8-13,16,18,22,29H,6-7,14-15,17H2,(H,27,28)(H,30,31);1-4H2