3-[4-(4-bromophenyl)carbonylpiperazin-1-yl]-2-phenoxy-propanoic acid

Systemtic Name: 3-[4-(4-bromophenyl)carbonylpiperazin-1-yl]-2-phenoxy-propanoic acid Openeye Name: 3-[4-(4-bromobenzoyl)piperazin-1-yl]-2-phenoxy-propanoic acid CAS Name: 3-[4-[(4-bromophenyl)-oxomethyl]-1-piperazinyl]-2-phenoxypropanoic acid IUPAC Name: 3-[4-(4-bromobenzoyl)piperazin-1-yl]-2-phenoxypropanoic acid Traditional Name: 3-[4-(4-bromobenzoyl)piperazino]-2-phenoxy-propionic acid Formula: C20H21BrN2O4 MolecularWeight: 433.29574

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(C(=O)O)OC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C1CN(CCN1CC(C(=O)O)OC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C20H21BrN2O4/c21-16-8-6-15(7-9-16)19(24)23-12-10-22(11-13-23)14-18(20(25)26)27-17-4-2-1-3-5-17/h1-9,18H,10-14H2,(H,25,26)