ethyl (3S)-1-[3-chloranyl-5-methoxy-4-(2-methylpropoxy)phenyl]carbonylpiperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-[3-chloranyl-5-methoxy-4-(2-methylpropoxy)phenyl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl (3S)-1-(3-chloro-4-isobutoxy-5-methoxy-benzoyl)piperidine-3-carboxylate CAS Name: (3S)-1-[[3-chloro-5-methoxy-4-(2-methylpropoxy)phenyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[3-chloro-5-methoxy-4-(2-methylpropoxy)benzoyl]piperidine-3-carboxylate Traditional Name: (3S)-1-(3-chloro-4-isobutoxy-5-methoxy-benzoyl)nipecotic acid ethyl ester Formula: C20H28ClNO5 MolecularWeight: 397.89302

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=CC(=C(C(=C2)Cl)OCC(C)C)OC

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)C(=O)C2=CC(=C(C(=C2)Cl)OCC(C)C)OC

InChI

InChI=1S/C20H28ClNO5/c1-5-26-20(24)14-7-6-8-22(11-14)19(23)15-9-16(21)18(17(10-15)25-4)27-12-13(2)3/h9-10,13-14H,5-8,11-12H2,1-4H3/t14-/m0/s1