methyl 2-[[4-[2-(tert-butylamino)-2-oxidanylidene-ethyl]piperazin-1-yl]methyl]-3-oxidanyl-3-pyridin-4-yl-propanoate

Systemtic Name: methyl 2-[[4-[2-(tert-butylamino)-2-oxidanylidene-ethyl]piperazin-1-yl]methyl]-3-oxidanyl-3-pyridin-4-yl-propanoate Openeye Name: methyl 2-[[4-[2-(tert-butylamino)-2-oxo-ethyl]piperazin-1-yl]methyl]-3-hydroxy-3-(4-pyridyl)propanoate CAS Name: 2-[[4-[2-(tert-butylamino)-2-oxoethyl]-1-piperazinyl]methyl]-3-hydroxy-3-pyridin-4-ylpropanoic acid methyl ester IUPAC Name: methyl 2-[[4-[2-(tert-butylamino)-2-oxoethyl]piperazin-1-yl]methyl]-3-hydroxy-3-pyridin-4-ylpropanoate Traditional Name: 2-[[4-[2-(tert-butylamino)-2-keto-ethyl]piperazino]methyl]-3-hydroxy-3-(4-pyridyl)propionic acid methyl ester Formula: C20H32N4O4 MolecularWeight: 392.49248

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CN1CCN(CC1)CC(C(C2=CC=NC=C2)O)C(=O)OC

Isomeric SMILES

CC(C)(C)NC(=O)CN1CCN(CC1)CC(C(C2=CC=NC=C2)O)C(=O)OC

InChI

InChI=1S/C20H32N4O4/c1-20(2,3)22-17(25)14-24-11-9-23(10-12-24)13-16(19(27)28-4)18(26)15-5-7-21-8-6-15/h5-8,16,18,26H,9-14H2,1-4H3,(H,22,25)