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

Systemtic Name: 2-(5-phenylmethoxy-1H-indol-3-yl)-2-(4-phenylpiperazin-1-yl)ethanoic acid Openeye Name: 2-(5-benzyloxy-1H-indol-3-yl)-2-(4-phenylpiperazin-1-yl)acetic acid CAS Name: 2-(5-phenylmethoxy-1H-indol-3-yl)-2-(4-phenyl-1-piperazinyl)acetic acid IUPAC Name: 2-(5-phenylmethoxy-1H-indol-3-yl)-2-(4-phenylpiperazin-1-yl)acetic acid Traditional Name: 2-(5-benzoxy-1H-indol-3-yl)-2-(4-phenylpiperazino)acetic acid Formula: C27H27N3O3 MolecularWeight: 441.52158

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(C3=CNC4=C3C=C(C=C4)OCC5=CC=CC=C5)C(=O)O

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(C3=CNC4=C3C=C(C=C4)OCC5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C27H27N3O3/c31-27(32)26(30-15-13-29(14-16-30)21-9-5-2-6-10-21)24-18-28-25-12-11-22(17-23(24)25)33-19-20-7-3-1-4-8-20/h1-12,17-18,26,28H,13-16,19H2,(H,31,32)