methyl 2-[[1-[1-(phenylmethyl)piperidin-4-yl]piperidin-3-yl]carbonylamino]ethanoate

Systemtic Name: methyl 2-[[1-[1-(phenylmethyl)piperidin-4-yl]piperidin-3-yl]carbonylamino]ethanoate Openeye Name: methyl 2-[[1-(1-benzyl-4-piperidyl)piperidine-3-carbonyl]amino]acetate CAS Name: 2-[[oxo-[1-[1-(phenylmethyl)-4-piperidinyl]-3-piperidinyl]methyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[1-(1-benzylpiperidin-4-yl)piperidine-3-carbonyl]amino]acetate Traditional Name: 2-[[1-(1-benzyl-4-piperidyl)nipecotoyl]amino]acetic acid methyl ester Formula: C21H31N3O3 MolecularWeight: 373.48914

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CNC(=O)C1CCCN(C1)C2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

COC(=O)CNC(=O)C1CCCN(C1)C2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C21H31N3O3/c1-27-20(25)14-22-21(26)18-8-5-11-24(16-18)19-9-12-23(13-10-19)15-17-6-3-2-4-7-17/h2-4,6-7,18-19H,5,8-16H2,1H3,(H,22,26)