2-methyl-2-[4-[2-[(phenylmethyl)-propan-2-yl-amino]ethyl]piperazin-1-yl]propanoic acid

Systemtic Name: 2-methyl-2-[4-[2-[(phenylmethyl)-propan-2-yl-amino]ethyl]piperazin-1-yl]propanoic acid Openeye Name: 2-[4-[2-[benzyl(isopropyl)amino]ethyl]piperazin-1-yl]-2-methyl-propanoic acid CAS Name: 2-methyl-2-[4-[2-[(phenylmethyl)-propan-2-ylamino]ethyl]-1-piperazinyl]propanoic acid IUPAC Name: 2-[4-[2-[benzyl(propan-2-yl)amino]ethyl]piperazin-1-yl]-2-methylpropanoic acid Traditional Name: 2-[4-[2-[benzyl(isopropyl)amino]ethyl]piperazino]-2-methyl-propionic acid Formula: C20H33N3O2 MolecularWeight: 347.49492

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CCN1CCN(CC1)C(C)(C)C(=O)O)CC2=CC=CC=C2

Isomeric SMILES

CC(C)N(CCN1CCN(CC1)C(C)(C)C(=O)O)CC2=CC=CC=C2

InChI

InChI=1S/C20H33N3O2/c1-17(2)22(16-18-8-6-5-7-9-18)13-10-21-11-14-23(15-12-21)20(3,4)19(24)25/h5-9,17H,10-16H2,1-4H3,(H,24,25)