ethyl (3S)-1-[[5-(hydroxymethyl)furan-2-yl]methyl]-3-(2-phenoxyethyl)piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-[[5-(hydroxymethyl)furan-2-yl]methyl]-3-(2-phenoxyethyl)piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[[5-(hydroxymethyl)-2-furyl]methyl]-3-(2-phenoxyethyl)piperidine-3-carboxylate CAS Name: (3S)-1-[[5-(hydroxymethyl)-2-furanyl]methyl]-3-(2-phenoxyethyl)-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[[5-(hydroxymethyl)furan-2-yl]methyl]-3-(2-phenoxyethyl)piperidine-3-carboxylate Traditional Name: (3S)-1-[(5-methylol-2-furyl)methyl]-3-(2-phenoxyethyl)nipecotic acid ethyl ester Formula: C22H29NO5 MolecularWeight: 387.46936

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)CC2=CC=C(O2)CO)CCOC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)[C@@]1(CCCN(C1)CC2=CC=C(O2)CO)CCOC3=CC=CC=C3

InChI

InChI=1S/C22H29NO5/c1-2-26-21(25)22(12-14-27-18-7-4-3-5-8-18)11-6-13-23(17-22)15-19-9-10-20(16-24)28-19/h3-5,7-10,24H,2,6,11-17H2,1H3/t22-/m0/s1