ethyl 4-[[4-[[(3S)-1-pyridin-4-ylcarbonylpiperidin-3-yl]methoxy]phenyl]methyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[[4-[[(3S)-1-pyridin-4-ylcarbonylpiperidin-3-yl]methoxy]phenyl]methyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[[4-[[(3S)-1-(pyridine-4-carbonyl)-3-piperidyl]methoxy]phenyl]methyl]piperazine-1-carboxylate CAS Name: 4-[[4-[[(3S)-1-[oxo(pyridin-4-yl)methyl]-3-piperidinyl]methoxy]phenyl]methyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[4-[[(3S)-1-(pyridine-4-carbonyl)piperidin-3-yl]methoxy]phenyl]methyl]piperazine-1-carboxylate Traditional Name: 4-[4-[[(3S)-1-isonicotinoyl-3-piperidyl]methoxy]benzyl]piperazine-1-carboxylic acid ethyl ester Formula: C26H34N4O4 MolecularWeight: 466.57256

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)CC2=CC=C(C=C2)OCC3CCCN(C3)C(=O)C4=CC=NC=C4

Isomeric SMILES

CCOC(=O)N1CCN(CC1)CC2=CC=C(C=C2)OC[C@H]3CCCN(C3)C(=O)C4=CC=NC=C4

InChI

InChI=1S/C26H34N4O4/c1-2-33-26(32)29-16-14-28(15-17-29)18-21-5-7-24(8-6-21)34-20-22-4-3-13-30(19-22)25(31)23-9-11-27-12-10-23/h5-12,22H,2-4,13-20H2,1H3/t22-/m0/s1