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

Systemtic Name: ethyl (3S)-1-(5-methoxyfuran-2-yl)carbonyl-3-[(2-methylphenyl)methyl]piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-(5-methoxyfuran-2-carbonyl)-3-(o-tolylmethyl)piperidine-3-carboxylate CAS Name: (3S)-1-[(5-methoxy-2-furanyl)-oxomethyl]-3-[(2-methylphenyl)methyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-(5-methoxyfuran-2-carbonyl)-3-[(2-methylphenyl)methyl]piperidine-3-carboxylate Traditional Name: (3S)-1-(5-methoxy-2-furoyl)-3-(2-methylbenzyl)nipecotic acid ethyl ester Formula: C22H27NO5 MolecularWeight: 385.45348

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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=C3C

Isomeric SMILES

CCOC(=O)[C@@]1(CCCN(C1)C(=O)C2=CC=C(O2)OC)CC3=CC=CC=C3C

InChI

InChI=1S/C22H27NO5/c1-4-27-21(25)22(14-17-9-6-5-8-16(17)2)12-7-13-23(15-22)20(24)18-10-11-19(26-3)28-18/h5-6,8-11H,4,7,12-15H2,1-3H3/t22-/m0/s1