4-bromanylbutyl 3-phenyl-3-[5-[4-(pyridin-2-ylamino)butoxy]-1H-indol-3-yl]propanoate

Systemtic Name: 4-bromanylbutyl 3-phenyl-3-[5-[4-(pyridin-2-ylamino)butoxy]-1H-indol-3-yl]propanoate Openeye Name: 4-bromobutyl 3-phenyl-3-[5-[4-(2-pyridylamino)butoxy]-1H-indol-3-yl]propanoate CAS Name: 3-phenyl-3-[5-[4-(2-pyridinylamino)butoxy]-1H-indol-3-yl]propanoic acid 4-bromobutyl ester IUPAC Name: 4-bromobutyl 3-phenyl-3-[5-[4-(pyridin-2-ylamino)butoxy]-1H-indol-3-yl]propanoate Traditional Name: 3-phenyl-3-[5-[4-(2-pyridylamino)butoxy]-1H-indol-3-yl]propionic acid 4-bromobutyl ester Formula: C30H34BrN3O3 MolecularWeight: 564.51326

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H34BrN3O3/c31-15-5-8-19-37-30(35)21-25(23-10-2-1-3-11-23)27-22-34-28-14-13-24(20-26(27)28)36-18-9-7-17-33-29-12-4-6-16-32-29/h1-4,6,10-14,16,20,22,25,34H,5,7-9,15,17-19,21H2,(H,32,33)