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

Systemtic Name: 2-(1H-indol-3-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanoic acid Openeye Name: 2-[4-[(E)-cinnamyl]piperazin-1-yl]-2-(1H-indol-3-yl)acetic acid CAS Name: 2-(1H-indol-3-yl)-2-[4-[(E)-3-phenylprop-2-enyl]-1-piperazinyl]acetic acid IUPAC Name: 2-(1H-indol-3-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetic acid Traditional Name: 2-[4-[(E)-cinnamyl]piperazino]-2-(1H-indol-3-yl)acetic acid Formula: C23H25N3O2 MolecularWeight: 375.4635

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC=CC2=CC=CC=C2)C(C3=CNC4=CC=CC=C43)C(=O)O

Isomeric SMILES

C1CN(CCN1C/C=C/C2=CC=CC=C2)C(C3=CNC4=CC=CC=C43)C(=O)O

InChI

InChI=1S/C23H25N3O2/c27-23(28)22(20-17-24-21-11-5-4-10-19(20)21)26-15-13-25(14-16-26)12-6-9-18-7-2-1-3-8-18/h1-11,17,22,24H,12-16H2,(H,27,28)/b9-6+