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

Systemtic Name: 2-(5-bromanyl-1H-indol-3-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanoic acid Openeye Name: 2-(5-bromo-1H-indol-3-yl)-2-[4-[(E)-cinnamyl]piperazin-1-yl]acetic acid CAS Name: 2-(5-bromo-1H-indol-3-yl)-2-[4-[(E)-3-phenylprop-2-enyl]-1-piperazinyl]acetic acid IUPAC Name: 2-(5-bromo-1H-indol-3-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetic acid Traditional Name: 2-(5-bromo-1H-indol-3-yl)-2-[4-[(E)-cinnamyl]piperazino]acetic acid Formula: C23H24BrN3O2 MolecularWeight: 454.35956

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC=CC2=CC=CC=C2)C(C3=CNC4=C3C=C(C=C4)Br)C(=O)O

Isomeric SMILES

C1CN(CCN1C/C=C/C2=CC=CC=C2)C(C3=CNC4=C3C=C(C=C4)Br)C(=O)O

InChI

InChI=1S/C23H24BrN3O2/c24-18-8-9-21-19(15-18)20(16-25-21)22(23(28)29)27-13-11-26(12-14-27)10-4-7-17-5-2-1-3-6-17/h1-9,15-16,22,25H,10-14H2,(H,28,29)/b7-4+