methyl 1-[2-oxidanyl-3-[4-[(2-pyrazin-2-ylethylamino)methyl]phenoxy]propyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[2-oxidanyl-3-[4-[(2-pyrazin-2-ylethylamino)methyl]phenoxy]propyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-hydroxy-3-[4-[(2-pyrazin-2-ylethylamino)methyl]phenoxy]propyl]piperidine-4-carboxylate CAS Name: 1-[2-hydroxy-3-[4-[[2-(2-pyrazinyl)ethylamino]methyl]phenoxy]propyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-hydroxy-3-[4-[(2-pyrazin-2-ylethylamino)methyl]phenoxy]propyl]piperidine-4-carboxylate Traditional Name: 1-[2-hydroxy-3-[4-[(2-pyrazin-2-ylethylamino)methyl]phenoxy]propyl]isonipecotic acid methyl ester Formula: C23H32N4O4 MolecularWeight: 428.52458

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)CC(COC2=CC=C(C=C2)CNCCC3=NC=CN=C3)O

Isomeric SMILES

COC(=O)C1CCN(CC1)CC(COC2=CC=C(C=C2)CNCCC3=NC=CN=C3)O

InChI

InChI=1S/C23H32N4O4/c1-30-23(29)19-7-12-27(13-8-19)16-21(28)17-31-22-4-2-18(3-5-22)14-24-9-6-20-15-25-10-11-26-20/h2-5,10-11,15,19,21,24,28H,6-9,12-14,16-17H2,1H3