ethyl 4-[(3S)-1-[(3-chloranyl-5-methoxy-4-oxidanyl-phenyl)methyl]piperidin-3-yl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[(3S)-1-[(3-chloranyl-5-methoxy-4-oxidanyl-phenyl)methyl]piperidin-3-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[(3S)-1-[(3-chloro-4-hydroxy-5-methoxy-phenyl)methyl]-3-piperidyl]piperazine-1-carboxylate CAS Name: 4-[(3S)-1-[(3-chloro-4-hydroxy-5-methoxyphenyl)methyl]-3-piperidinyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3S)-1-[(3-chloro-4-hydroxy-5-methoxyphenyl)methyl]piperidin-3-yl]piperazine-1-carboxylate Traditional Name: 4-[(3S)-1-(3-chloro-4-hydroxy-5-methoxy-benzyl)-3-piperidyl]piperazine-1-carboxylic acid ethyl ester Formula: C20H30ClN3O4 MolecularWeight: 411.9229

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2CCCN(C2)CC3=CC(=C(C(=C3)Cl)O)OC

Isomeric SMILES

CCOC(=O)N1CCN(CC1)[C@H]2CCCN(C2)CC3=CC(=C(C(=C3)Cl)O)OC

InChI

InChI=1S/C20H30ClN3O4/c1-3-28-20(26)24-9-7-23(8-10-24)16-5-4-6-22(14-16)13-15-11-17(21)19(25)18(12-15)27-2/h11-12,16,25H,3-10,13-14H2,1-2H3/t16-/m0/s1