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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCOC1=CC=C(C=C1)N2CCN(CC2)C3=CC=NC=C3)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NC(CCOC1=CC=C(C=C1)N2CCN(CC2)C3=CC=NC=C3)C(=O)O

InChI

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