2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenoxy-4-(4-pyridin-4-ylpiperazin-1-yl)butanoic acid

Systemtic Name: 2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenoxy-4-(4-pyridin-4-ylpiperazin-1-yl)butanoic acid Openeye Name: 2-(tert-butoxycarbonylamino)-4-phenoxy-4-[4-(4-pyridyl)piperazin-1-yl]butanoic acid CAS Name: 2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-phenoxy-4-(4-pyridin-4-yl-1-piperazinyl)butanoic acid IUPAC Name: 2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenoxy-4-(4-pyridin-4-ylpiperazin-1-yl)butanoic acid Traditional Name: 2-(tert-butoxycarbonylamino)-4-phenoxy-4-[4-(4-pyridyl)piperazino]butyric acid Formula: C24H32N4O5 MolecularWeight: 456.53468

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC(N1CCN(CC1)C2=CC=NC=C2)OC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC(N1CCN(CC1)C2=CC=NC=C2)OC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C24H32N4O5/c1-24(2,3)33-23(31)26-20(22(29)30)17-21(32-19-7-5-4-6-8-19)28-15-13-27(14-16-28)18-9-11-25-12-10-18/h4-12,20-21H,13-17H2,1-3H3,(H,26,31)(H,29,30)