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

Systemtic Name: 2-(5-phenylmethoxy-1H-indol-3-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanoic acid Openeye Name: 2-(5-benzyloxy-1H-indol-3-yl)-2-[4-[(E)-cinnamyl]piperazin-1-yl]acetic acid CAS Name: 2-(5-phenylmethoxy-1H-indol-3-yl)-2-[4-[(E)-3-phenylprop-2-enyl]-1-piperazinyl]acetic acid IUPAC Name: 2-(5-phenylmethoxy-1H-indol-3-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetic acid Traditional Name: 2-(5-benzoxy-1H-indol-3-yl)-2-[4-[(E)-cinnamyl]piperazino]acetic acid Formula: C30H31N3O3 MolecularWeight: 481.58544

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC=CC2=CC=CC=C2)C(C3=CNC4=C3C=C(C=C4)OCC5=CC=CC=C5)C(=O)O

Isomeric SMILES

C1CN(CCN1C/C=C/C2=CC=CC=C2)C(C3=CNC4=C3C=C(C=C4)OCC5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C30H31N3O3/c34-30(35)29(33-18-16-32(17-19-33)15-7-12-23-8-3-1-4-9-23)27-21-31-28-14-13-25(20-26(27)28)36-22-24-10-5-2-6-11-24/h1-14,20-21,29,31H,15-19,22H2,(H,34,35)/b12-7+