ethyl 1-[(3-chloranyl-4-oxidanyl-phenyl)methyl]-4-(phenylmethyl)piperidine-4-carboxylate

Systemtic Name: ethyl 1-[(3-chloranyl-4-oxidanyl-phenyl)methyl]-4-(phenylmethyl)piperidine-4-carboxylate Openeye Name: ethyl 4-benzyl-1-[(3-chloro-4-hydroxy-phenyl)methyl]piperidine-4-carboxylate CAS Name: 1-[(3-chloro-4-hydroxyphenyl)methyl]-4-(phenylmethyl)-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-benzyl-1-[(3-chloro-4-hydroxyphenyl)methyl]piperidine-4-carboxylate Traditional Name: 4-benzyl-1-(3-chloro-4-hydroxy-benzyl)isonipecotic acid ethyl ester Formula: C22H26ClNO3 MolecularWeight: 387.89974

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)CC2=CC(=C(C=C2)O)Cl)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)CC2=CC(=C(C=C2)O)Cl)CC3=CC=CC=C3

InChI

InChI=1S/C22H26ClNO3/c1-2-27-21(26)22(15-17-6-4-3-5-7-17)10-12-24(13-11-22)16-18-8-9-20(25)19(23)14-18/h3-9,14,25H,2,10-13,15-16H2,1H3