4-[2-[4-(2-phenoxyethyl)piperazin-1-yl]ethyl]benzoic acid

Systemtic Name: 4-[2-[4-(2-phenoxyethyl)piperazin-1-yl]ethyl]benzoic acid Openeye Name: 4-[2-[4-(2-phenoxyethyl)piperazin-1-yl]ethyl]benzoic acid CAS Name: 4-[2-[4-(2-phenoxyethyl)-1-piperazinyl]ethyl]benzoic acid IUPAC Name: 4-[2-[4-(2-phenoxyethyl)piperazin-1-yl]ethyl]benzoic acid Traditional Name: 4-[2-[4-(2-phenoxyethyl)piperazino]ethyl]benzoic acid Formula: C21H26N2O3 MolecularWeight: 354.44274

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC2=CC=C(C=C2)C(=O)O)CCOC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1CCC2=CC=C(C=C2)C(=O)O)CCOC3=CC=CC=C3

InChI

InChI=1S/C21H26N2O3/c24-21(25)19-8-6-18(7-9-19)10-11-22-12-14-23(15-13-22)16-17-26-20-4-2-1-3-5-20/h1-9H,10-17H2,(H,24,25)