2-(5-bromanyl-1H-indol-3-yl)-2-[4-[(4-methoxy-3,5-dimethyl-pyridin-2-yl)methyl]piperazin-1-yl]ethanoic acid

Systemtic Name: 2-(5-bromanyl-1H-indol-3-yl)-2-[4-[(4-methoxy-3,5-dimethyl-pyridin-2-yl)methyl]piperazin-1-yl]ethanoic acid Openeye Name: 2-(5-bromo-1H-indol-3-yl)-2-[4-[(4-methoxy-3,5-dimethyl-2-pyridyl)methyl]piperazin-1-yl]acetic acid CAS Name: 2-(5-bromo-1H-indol-3-yl)-2-[4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-piperazinyl]acetic acid IUPAC Name: 2-(5-bromo-1H-indol-3-yl)-2-[4-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]piperazin-1-yl]acetic acid Traditional Name: 2-(5-bromo-1H-indol-3-yl)-2-[4-[(4-methoxy-3,5-dimethyl-2-pyridyl)methyl]piperazino]acetic acid Formula: C23H27BrN4O3 MolecularWeight: 487.38948

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C(=C1OC)C)CN2CCN(CC2)C(C3=CNC4=C3C=C(C=C4)Br)C(=O)O

Isomeric SMILES

CC1=CN=C(C(=C1OC)C)CN2CCN(CC2)C(C3=CNC4=C3C=C(C=C4)Br)C(=O)O

InChI

InChI=1S/C23H27BrN4O3/c1-14-11-25-20(15(2)22(14)31-3)13-27-6-8-28(9-7-27)21(23(29)30)18-12-26-19-5-4-16(24)10-17(18)19/h4-5,10-12,21,26H,6-9,13H2,1-3H3,(H,29,30)