ethyl (3S)-1-[(5-chloranyl-2-oxidanyl-phenyl)methyl]-3-(2-methoxyethyl)piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-[(5-chloranyl-2-oxidanyl-phenyl)methyl]-3-(2-methoxyethyl)piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[(5-chloro-2-hydroxy-phenyl)methyl]-3-(2-methoxyethyl)piperidine-3-carboxylate CAS Name: (3S)-1-[(5-chloro-2-hydroxyphenyl)methyl]-3-(2-methoxyethyl)-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[(5-chloro-2-hydroxyphenyl)methyl]-3-(2-methoxyethyl)piperidine-3-carboxylate Traditional Name: (3S)-1-(5-chloro-2-hydroxy-benzyl)-3-(2-methoxyethyl)nipecotic acid ethyl ester Formula: C18H26ClNO4 MolecularWeight: 355.85634

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)CC2=C(C=CC(=C2)Cl)O)CCOC

Isomeric SMILES

CCOC(=O)[C@@]1(CCCN(C1)CC2=C(C=CC(=C2)Cl)O)CCOC

InChI

InChI=1S/C18H26ClNO4/c1-3-24-17(22)18(8-10-23-2)7-4-9-20(13-18)12-14-11-15(19)5-6-16(14)21/h5-6,11,21H,3-4,7-10,12-13H2,1-2H3/t18-/m0/s1