ethyl (3S)-3-[(3-chlorophenyl)methyl]-1-(3-methylfuran-2-yl)carbonyl-piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-3-[(3-chlorophenyl)methyl]-1-(3-methylfuran-2-yl)carbonyl-piperidine-3-carboxylate Openeye Name: ethyl (3S)-3-[(3-chlorophenyl)methyl]-1-(3-methylfuran-2-carbonyl)piperidine-3-carboxylate CAS Name: (3S)-3-[(3-chlorophenyl)methyl]-1-[(3-methyl-2-furanyl)-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-3-[(3-chlorophenyl)methyl]-1-(3-methylfuran-2-carbonyl)piperidine-3-carboxylate Traditional Name: (3S)-3-(3-chlorobenzyl)-1-(3-methyl-2-furoyl)nipecotic acid ethyl ester Formula: C21H24ClNO4 MolecularWeight: 389.87256

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)C(=O)C2=C(C=CO2)C)CC3=CC(=CC=C3)Cl

Isomeric SMILES

CCOC(=O)[C@@]1(CCCN(C1)C(=O)C2=C(C=CO2)C)CC3=CC(=CC=C3)Cl

InChI

InChI=1S/C21H24ClNO4/c1-3-26-20(25)21(13-16-6-4-7-17(22)12-16)9-5-10-23(14-21)19(24)18-15(2)8-11-27-18/h4,6-8,11-12H,3,5,9-10,13-14H2,1-2H3/t21-/m0/s1