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

Systemtic Name: ethyl (3S)-1-(5-methoxyfuran-2-yl)carbonyl-3-[(3-methoxyphenyl)methyl]piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-(5-methoxyfuran-2-carbonyl)-3-[(3-methoxyphenyl)methyl]piperidine-3-carboxylate CAS Name: (3S)-1-[(5-methoxy-2-furanyl)-oxomethyl]-3-[(3-methoxyphenyl)methyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-(5-methoxyfuran-2-carbonyl)-3-[(3-methoxyphenyl)methyl]piperidine-3-carboxylate Traditional Name: (3S)-3-m-anisyl-1-(5-methoxy-2-furoyl)nipecotic acid ethyl ester Formula: C22H27NO6 MolecularWeight: 401.45288

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)C(=O)C2=CC=C(O2)OC)CC3=CC(=CC=C3)OC

Isomeric SMILES

CCOC(=O)[C@@]1(CCCN(C1)C(=O)C2=CC=C(O2)OC)CC3=CC(=CC=C3)OC

InChI

InChI=1S/C22H27NO6/c1-4-28-21(25)22(14-16-7-5-8-17(13-16)26-2)11-6-12-23(15-22)20(24)18-9-10-19(27-3)29-18/h5,7-10,13H,4,6,11-12,14-15H2,1-3H3/t22-/m0/s1