(4-ethylphenyl)methyl 3-oxidanyl-4-[(pyridin-4-ylamino)methyl]piperidine-1-carboxylate

Systemtic Name: (4-ethylphenyl)methyl 3-oxidanyl-4-[(pyridin-4-ylamino)methyl]piperidine-1-carboxylate Openeye Name: (4-ethylphenyl)methyl 3-hydroxy-4-[(4-pyridylamino)methyl]piperidine-1-carboxylate CAS Name: 3-hydroxy-4-[(pyridin-4-ylamino)methyl]-1-piperidinecarboxylic acid (4-ethylphenyl)methyl ester IUPAC Name: (4-ethylphenyl)methyl 3-hydroxy-4-[(pyridin-4-ylamino)methyl]piperidine-1-carboxylate Traditional Name: 3-hydroxy-4-[(4-pyridylamino)methyl]piperidine-1-carboxylic acid (4-ethylbenzyl) ester Formula: C21H27N3O3 MolecularWeight: 369.45738

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)COC(=O)N2CCC(C(C2)O)CNC3=CC=NC=C3

Isomeric SMILES

CCC1=CC=C(C=C1)COC(=O)N2CCC(C(C2)O)CNC3=CC=NC=C3

InChI

InChI=1S/C21H27N3O3/c1-2-16-3-5-17(6-4-16)15-27-21(26)24-12-9-18(20(25)14-24)13-23-19-7-10-22-11-8-19/h3-8,10-11,18,20,25H,2,9,12-15H2,1H3,(H,22,23)