ethyl (3S)-3-[(3-methoxyphenyl)methyl]-1-[(5-methyl-1,2-oxazol-3-yl)carbonyl]piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-3-[(3-methoxyphenyl)methyl]-1-[(5-methyl-1,2-oxazol-3-yl)carbonyl]piperidine-3-carboxylate Openeye Name: ethyl (3S)-3-[(3-methoxyphenyl)methyl]-1-(5-methylisoxazole-3-carbonyl)piperidine-3-carboxylate CAS Name: (3S)-3-[(3-methoxyphenyl)methyl]-1-[(5-methyl-3-isoxazolyl)-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-3-[(3-methoxyphenyl)methyl]-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine-3-carboxylate Traditional Name: (3S)-3-m-anisyl-1-(5-methylisoxazole-3-carbonyl)nipecotic acid ethyl ester Formula: C21H26N2O5 MolecularWeight: 386.44154

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)C(=O)C2=NOC(=C2)C)CC3=CC(=CC=C3)OC

Isomeric SMILES

CCOC(=O)[C@@]1(CCCN(C1)C(=O)C2=NOC(=C2)C)CC3=CC(=CC=C3)OC

InChI

InChI=1S/C21H26N2O5/c1-4-27-20(25)21(13-16-7-5-8-17(12-16)26-3)9-6-10-23(14-21)19(24)18-11-15(2)28-22-18/h5,7-8,11-12H,4,6,9-10,13-14H2,1-3H3/t21-/m0/s1