methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenoxy-4-(4-pyridin-4-ylpiperazin-1-yl)butanoate

Systemtic Name: methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenoxy-4-(4-pyridin-4-ylpiperazin-1-yl)butanoate Openeye Name: methyl 2-(tert-butoxycarbonylamino)-4-phenoxy-4-[4-(4-pyridyl)piperazin-1-yl]butanoate CAS Name: 2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-phenoxy-4-(4-pyridin-4-yl-1-piperazinyl)butanoic acid methyl ester IUPAC Name: methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenoxy-4-(4-pyridin-4-ylpiperazin-1-yl)butanoate Traditional Name: 2-(tert-butoxycarbonylamino)-4-phenoxy-4-[4-(4-pyridyl)piperazino]butyric acid methyl ester Formula: C25H34N4O5 MolecularWeight: 470.56126

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C25H34N4O5/c1-25(2,3)34-24(31)27-21(23(30)32-4)18-22(33-20-8-6-5-7-9-20)29-16-14-28(15-17-29)19-10-12-26-13-11-19/h5-13,21-22H,14-18H2,1-4H3,(H,27,31)