methyl 3-[ethanoyl-[4-(4-pyridin-4-ylpiperazin-1-yl)carbonylpiperidin-1-yl]amino]propanoate

Systemtic Name: methyl 3-[ethanoyl-[4-(4-pyridin-4-ylpiperazin-1-yl)carbonylpiperidin-1-yl]amino]propanoate Openeye Name: methyl 3-[acetyl-[4-[4-(4-pyridyl)piperazine-1-carbonyl]-1-piperidyl]amino]propanoate CAS Name: 3-[acetyl-[4-[oxo-(4-pyridin-4-yl-1-piperazinyl)methyl]-1-piperidinyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-[acetyl-[4-(4-pyridin-4-ylpiperazine-1-carbonyl)piperidin-1-yl]amino]propanoate Traditional Name: 3-[acetyl-[4-[4-(4-pyridyl)piperazine-1-carbonyl]piperidino]amino]propionic acid methyl ester Formula: C21H31N5O4 MolecularWeight: 417.50194

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(CCC(=O)OC)N1CCC(CC1)C(=O)N2CCN(CC2)C3=CC=NC=C3

Isomeric SMILES

CC(=O)N(CCC(=O)OC)N1CCC(CC1)C(=O)N2CCN(CC2)C3=CC=NC=C3

InChI

InChI=1S/C21H31N5O4/c1-17(27)26(12-7-20(28)30-2)25-10-5-18(6-11-25)21(29)24-15-13-23(14-16-24)19-3-8-22-9-4-19/h3-4,8-9,18H,5-7,10-16H2,1-2H3