methyl 3-[[1-(1-phenethylpiperidin-4-yl)piperidin-3-yl]carbonylamino]propanoate

Systemtic Name: methyl 3-[[1-(1-phenethylpiperidin-4-yl)piperidin-3-yl]carbonylamino]propanoate Openeye Name: methyl 3-[[1-(1-phenethyl-4-piperidyl)piperidine-3-carbonyl]amino]propanoate CAS Name: 3-[[oxo-[1-(1-phenethyl-4-piperidinyl)-3-piperidinyl]methyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-[[1-(1-phenethylpiperidin-4-yl)piperidine-3-carbonyl]amino]propanoate Traditional Name: 3-[[1-(1-phenethyl-4-piperidyl)nipecotoyl]amino]propionic acid methyl ester Formula: C23H35N3O3 MolecularWeight: 401.5423

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCNC(=O)C1CCCN(C1)C2CCN(CC2)CCC3=CC=CC=C3

Isomeric SMILES

COC(=O)CCNC(=O)C1CCCN(C1)C2CCN(CC2)CCC3=CC=CC=C3

InChI

InChI=1S/C23H35N3O3/c1-29-22(27)9-13-24-23(28)20-8-5-14-26(18-20)21-11-16-25(17-12-21)15-10-19-6-3-2-4-7-19/h2-4,6-7,20-21H,5,8-18H2,1H3,(H,24,28)