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

Systemtic Name: 2-[4-[2-[(phenylmethyl)-propan-2-yl-amino]ethyl]piperazin-1-yl]ethanoic acid Openeye Name: 2-[4-[2-[benzyl(isopropyl)amino]ethyl]piperazin-1-yl]acetic acid CAS Name: 2-[4-[2-[(phenylmethyl)-propan-2-ylamino]ethyl]-1-piperazinyl]acetic acid IUPAC Name: 2-[4-[2-[benzyl(propan-2-yl)amino]ethyl]piperazin-1-yl]acetic acid Traditional Name: 2-[4-[2-[benzyl(isopropyl)amino]ethyl]piperazino]acetic acid Formula: C18H29N3O2 MolecularWeight: 319.44176

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29N3O2/c1-16(2)21(14-17-6-4-3-5-7-17)13-12-19-8-10-20(11-9-19)15-18(22)23/h3-7,16H,8-15H2,1-2H3,(H,22,23)