methyl (2R)-1-[[5-(isoquinolin-5-yloxymethyl)-1,2-oxazol-3-yl]carbonyl]piperidine-2-carboxylate

Systemtic Name: methyl (2R)-1-[[5-(isoquinolin-5-yloxymethyl)-1,2-oxazol-3-yl]carbonyl]piperidine-2-carboxylate Openeye Name: methyl (2R)-1-[5-(5-isoquinolyloxymethyl)isoxazole-3-carbonyl]piperidine-2-carboxylate CAS Name: (2R)-1-[[5-(5-isoquinolinyloxymethyl)-3-isoxazolyl]-oxomethyl]-2-piperidinecarboxylic acid methyl ester IUPAC Name: methyl (2R)-1-[5-(isoquinolin-5-yloxymethyl)-1,2-oxazole-3-carbonyl]piperidine-2-carboxylate Traditional Name: (2R)-1-[5-(5-isoquinolyloxymethyl)isoxazole-3-carbonyl]pipecolinic acid methyl ester Formula: C21H21N3O5 MolecularWeight: 395.40854

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCCCN1C(=O)C2=NOC(=C2)COC3=CC=CC4=C3C=CN=C4

Isomeric SMILES

COC(=O)[C@H]1CCCCN1C(=O)C2=NOC(=C2)COC3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C21H21N3O5/c1-27-21(26)18-6-2-3-10-24(18)20(25)17-11-15(29-23-17)13-28-19-7-4-5-14-12-22-9-8-16(14)19/h4-5,7-9,11-12,18H,2-3,6,10,13H2,1H3/t18-/m1/s1