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

Systemtic Name: (4-methylphenyl)methyl 3-oxidanyl-4-[(pyridin-4-ylamino)methyl]piperidine-1-carboxylate Openeye Name: p-tolylmethyl 3-hydroxy-4-[(4-pyridylamino)methyl]piperidine-1-carboxylate CAS Name: 3-hydroxy-4-[(pyridin-4-ylamino)methyl]-1-piperidinecarboxylic acid (4-methylphenyl)methyl ester IUPAC Name: (4-methylphenyl)methyl 3-hydroxy-4-[(pyridin-4-ylamino)methyl]piperidine-1-carboxylate Traditional Name: 3-hydroxy-4-[(4-pyridylamino)methyl]piperidine-1-carboxylic acid (4-methylbenzyl) ester Formula: C20H25N3O3 MolecularWeight: 355.4308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)COC(=O)N2CCC(C(C2)O)CNC3=CC=NC=C3

Isomeric SMILES

CC1=CC=C(C=C1)COC(=O)N2CCC(C(C2)O)CNC3=CC=NC=C3

InChI

InChI=1S/C20H25N3O3/c1-15-2-4-16(5-3-15)14-26-20(25)23-11-8-17(19(24)13-23)12-22-18-6-9-21-10-7-18/h2-7,9-10,17,19,24H,8,11-14H2,1H3,(H,21,22)