2-[4-(3-chlorophenyl)piperazin-1-yl]-2-(6-phenylmethoxy-1H-indol-3-yl)ethanoic acid

Systemtic Name: 2-[4-(3-chlorophenyl)piperazin-1-yl]-2-(6-phenylmethoxy-1H-indol-3-yl)ethanoic acid Openeye Name: 2-(6-benzyloxy-1H-indol-3-yl)-2-[4-(3-chlorophenyl)piperazin-1-yl]acetic acid CAS Name: 2-[4-(3-chlorophenyl)-1-piperazinyl]-2-(6-phenylmethoxy-1H-indol-3-yl)acetic acid IUPAC Name: 2-[4-(3-chlorophenyl)piperazin-1-yl]-2-(6-phenylmethoxy-1H-indol-3-yl)acetic acid Traditional Name: 2-(6-benzoxy-1H-indol-3-yl)-2-[4-(3-chlorophenyl)piperazino]acetic acid Formula: C27H26ClN3O3 MolecularWeight: 475.96664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H26ClN3O3/c28-20-7-4-8-21(15-20)30-11-13-31(14-12-30)26(27(32)33)24-17-29-25-16-22(9-10-23(24)25)34-18-19-5-2-1-3-6-19/h1-10,15-17,26,29H,11-14,18H2,(H,32,33)