2-(5-bromanyl-1H-indol-3-yl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]ethanoic acid

Systemtic Name: 2-(5-bromanyl-1H-indol-3-yl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]ethanoic acid Openeye Name: 2-(5-bromo-1H-indol-3-yl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetic acid CAS Name: 2-(5-bromo-1H-indol-3-yl)-2-[4-(3-methoxyphenyl)-1-piperazinyl]acetic acid IUPAC Name: 2-(5-bromo-1H-indol-3-yl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetic acid Traditional Name: 2-(5-bromo-1H-indol-3-yl)-2-[4-(3-methoxyphenyl)piperazino]acetic acid Formula: C21H22BrN3O3 MolecularWeight: 444.32168

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2CCN(CC2)C(C3=CNC4=C3C=C(C=C4)Br)C(=O)O

Isomeric SMILES

COC1=CC=CC(=C1)N2CCN(CC2)C(C3=CNC4=C3C=C(C=C4)Br)C(=O)O

InChI

InChI=1S/C21H22BrN3O3/c1-28-16-4-2-3-15(12-16)24-7-9-25(10-8-24)20(21(26)27)18-13-23-19-6-5-14(22)11-17(18)19/h2-6,11-13,20,23H,7-10H2,1H3,(H,26,27)