ethyl 2-(phenylmethyl)-3-[[1-(3-piperidin-4-ylpropanoyl)piperidin-3-yl]carbonylamino]propanoate

Systemtic Name: ethyl 2-(phenylmethyl)-3-[[1-(3-piperidin-4-ylpropanoyl)piperidin-3-yl]carbonylamino]propanoate Openeye Name: ethyl 2-benzyl-3-[[1-[3-(4-piperidyl)propanoyl]piperidine-3-carbonyl]amino]propanoate CAS Name: 2-[[[oxo-[1-[1-oxo-3-(4-piperidinyl)propyl]-3-piperidinyl]methyl]amino]methyl]-3-phenylpropanoic acid ethyl ester IUPAC Name: ethyl 2-benzyl-3-[[1-(3-piperidin-4-ylpropanoyl)piperidine-3-carbonyl]amino]propanoate Traditional Name: 2-benzyl-3-[[1-[3-(4-piperidyl)propanoyl]nipecotoyl]amino]propionic acid ethyl ester Formula: C26H39N3O4 MolecularWeight: 457.60556

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=CC=C1)CNC(=O)C2CCCN(C2)C(=O)CCC3CCNCC3

Isomeric SMILES

CCOC(=O)C(CC1=CC=CC=C1)CNC(=O)C2CCCN(C2)C(=O)CCC3CCNCC3

InChI

InChI=1S/C26H39N3O4/c1-2-33-26(32)23(17-21-7-4-3-5-8-21)18-28-25(31)22-9-6-16-29(19-22)24(30)11-10-20-12-14-27-15-13-20/h3-5,7-8,20,22-23,27H,2,6,9-19H2,1H3,(H,28,31)