3-[2-[phenyl-[1-(4-phenylpiperazin-1-yl)propan-2-yl]amino]phenyl]propanoic acid

Systemtic Name: 3-[2-[phenyl-[1-(4-phenylpiperazin-1-yl)propan-2-yl]amino]phenyl]propanoic acid Openeye Name: 3-[2-(N-[1-methyl-2-(4-phenylpiperazin-1-yl)ethyl]anilino)phenyl]propanoic acid CAS Name: 3-[2-[N-[1-(4-phenyl-1-piperazinyl)propan-2-yl]anilino]phenyl]propanoic acid IUPAC Name: 3-[2-[N-[1-(4-phenylpiperazin-1-yl)propan-2-yl]anilino]phenyl]propanoic acid Traditional Name: 3-[2-(N-[1-methyl-2-(4-phenylpiperazino)ethyl]anilino)phenyl]propionic acid Formula: C28H33N3O2 MolecularWeight: 443.58052

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1CCN(CC1)C2=CC=CC=C2)N(C3=CC=CC=C3)C4=CC=CC=C4CCC(=O)O

Isomeric SMILES

CC(CN1CCN(CC1)C2=CC=CC=C2)N(C3=CC=CC=C3)C4=CC=CC=C4CCC(=O)O

InChI

InChI=1S/C28H33N3O2/c1-23(22-29-18-20-30(21-19-29)25-11-4-2-5-12-25)31(26-13-6-3-7-14-26)27-15-9-8-10-24(27)16-17-28(32)33/h2-15,23H,16-22H2,1H3,(H,32,33)