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

Systemtic Name: 2-[4-[(3-chlorophenyl)methyl]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)methyl]piperazin-1-yl]acetic acid CAS Name: 2-[4-[(3-chlorophenyl)methyl]-1-piperazinyl]-2-(6-phenylmethoxy-1H-indol-3-yl)acetic acid IUPAC Name: 2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-(6-phenylmethoxy-1H-indol-3-yl)acetic acid Traditional Name: 2-(6-benzoxy-1H-indol-3-yl)-2-[4-(3-chlorobenzyl)piperazino]acetic acid Formula: C28H28ClN3O3 MolecularWeight: 489.99322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC(=CC=C2)Cl)C(C3=CNC4=C3C=CC(=C4)OCC5=CC=CC=C5)C(=O)O

Isomeric SMILES

C1CN(CCN1CC2=CC(=CC=C2)Cl)C(C3=CNC4=C3C=CC(=C4)OCC5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C28H28ClN3O3/c29-22-8-4-7-21(15-22)18-31-11-13-32(14-12-31)27(28(33)34)25-17-30-26-16-23(9-10-24(25)26)35-19-20-5-2-1-3-6-20/h1-10,15-17,27,30H,11-14,18-19H2,(H,33,34)