2-(5-bromanyl-1H-indol-3-yl)-2-(4-phenylpiperazin-1-yl)ethanoic acid

Systemtic Name: 2-(5-bromanyl-1H-indol-3-yl)-2-(4-phenylpiperazin-1-yl)ethanoic acid Openeye Name: 2-(5-bromo-1H-indol-3-yl)-2-(4-phenylpiperazin-1-yl)acetic acid CAS Name: 2-(5-bromo-1H-indol-3-yl)-2-(4-phenyl-1-piperazinyl)acetic acid IUPAC Name: 2-(5-bromo-1H-indol-3-yl)-2-(4-phenylpiperazin-1-yl)acetic acid Traditional Name: 2-(5-bromo-1H-indol-3-yl)-2-(4-phenylpiperazino)acetic acid Formula: C20H20BrN3O2 MolecularWeight: 414.2957

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(C3=CNC4=C3C=C(C=C4)Br)C(=O)O

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(C3=CNC4=C3C=C(C=C4)Br)C(=O)O

InChI

InChI=1S/C20H20BrN3O2/c21-14-6-7-18-16(12-14)17(13-22-18)19(20(25)26)24-10-8-23(9-11-24)15-4-2-1-3-5-15/h1-7,12-13,19,22H,8-11H2,(H,25,26)