2-methylpropyl 3-piperidin-1-yl-2-[(4-pyridin-4-ylpiperazin-1-yl)carbonylamino]propanoate

Systemtic Name: 2-methylpropyl 3-piperidin-1-yl-2-[(4-pyridin-4-ylpiperazin-1-yl)carbonylamino]propanoate Openeye Name: isobutyl 3-(1-piperidyl)-2-[[4-(4-pyridyl)piperazine-1-carbonyl]amino]propanoate CAS Name: 2-[[oxo-(4-pyridin-4-yl-1-piperazinyl)methyl]amino]-3-(1-piperidinyl)propanoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 3-piperidin-1-yl-2-[(4-pyridin-4-ylpiperazine-1-carbonyl)amino]propanoate Traditional Name: 3-piperidino-2-[[4-(4-pyridyl)piperazine-1-carbonyl]amino]propionic acid isobutyl ester Formula: C22H35N5O3 MolecularWeight: 417.545

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)C(CN1CCCCC1)NC(=O)N2CCN(CC2)C3=CC=NC=C3

Isomeric SMILES

CC(C)COC(=O)C(CN1CCCCC1)NC(=O)N2CCN(CC2)C3=CC=NC=C3

InChI

InChI=1S/C22H35N5O3/c1-18(2)17-30-21(28)20(16-25-10-4-3-5-11-25)24-22(29)27-14-12-26(13-15-27)19-6-8-23-9-7-19/h6-9,18,20H,3-5,10-17H2,1-2H3,(H,24,29)