3-[4-[(4-methylpiperazin-1-yl)methyl]-2-(2-naphthalen-2-ylethoxy)phenyl]propanoic acid

Systemtic Name: 3-[4-[(4-methylpiperazin-1-yl)methyl]-2-(2-naphthalen-2-ylethoxy)phenyl]propanoic acid Openeye Name: 3-[4-[(4-methylpiperazin-1-yl)methyl]-2-[2-(2-naphthyl)ethoxy]phenyl]propanoic acid CAS Name: 3-[4-[(4-methyl-1-piperazinyl)methyl]-2-[2-(2-naphthalenyl)ethoxy]phenyl]propanoic acid IUPAC Name: 3-[4-[(4-methylpiperazin-1-yl)methyl]-2-(2-naphthalen-2-ylethoxy)phenyl]propanoic acid Traditional Name: 3-[4-[(4-methylpiperazino)methyl]-2-[2-(2-naphthyl)ethoxy]phenyl]propionic acid Formula: C27H32N2O3 MolecularWeight: 432.55458

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC2=CC(=C(C=C2)CCC(=O)O)OCCC3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CN1CCN(CC1)CC2=CC(=C(C=C2)CCC(=O)O)OCCC3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C27H32N2O3/c1-28-13-15-29(16-14-28)20-22-7-9-24(10-11-27(30)31)26(19-22)32-17-12-21-6-8-23-4-2-3-5-25(23)18-21/h2-9,18-19H,10-17,20H2,1H3,(H,30,31)