2-[2-[4-[(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]-1-naphthalen-1-yl-ethoxy]ethanoic acid

Systemtic Name: 2-[2-[4-[(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]-1-naphthalen-1-yl-ethoxy]ethanoic acid Openeye Name: 2-[2-[4-[(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]-1-(1-naphthyl)ethoxy]acetic acid CAS Name: 2-[2-[4-[(4-chlorophenyl)-phenylmethyl]-1-piperazinyl]-1-(1-naphthalenyl)ethoxy]acetic acid IUPAC Name: 2-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-1-naphthalen-1-ylethoxy]acetic acid Traditional Name: 2-[2-[4-[(4-chlorophenyl)-phenyl-methyl]piperazino]-1-(1-naphthyl)ethoxy]acetic acid Formula: C31H31ClN2O3 MolecularWeight: 515.04244

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(C2=CC=CC3=CC=CC=C32)OCC(=O)O)C(C4=CC=CC=C4)C5=CC=C(C=C5)Cl

Isomeric SMILES

C1CN(CCN1CC(C2=CC=CC3=CC=CC=C32)OCC(=O)O)C(C4=CC=CC=C4)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C31H31ClN2O3/c32-26-15-13-25(14-16-26)31(24-8-2-1-3-9-24)34-19-17-33(18-20-34)21-29(37-22-30(35)36)28-12-6-10-23-7-4-5-11-27(23)28/h1-16,29,31H,17-22H2,(H,35,36)