2-(4-chloranyl-2-methyl-phenoxy)-1-[(3S)-3-(3,4-dimethoxyphenyl)carbonylpiperidin-1-yl]ethanone

Systemtic Name: 2-(4-chloranyl-2-methyl-phenoxy)-1-[(3S)-3-(3,4-dimethoxyphenyl)carbonylpiperidin-1-yl]ethanone Openeye Name: 2-(4-chloro-2-methyl-phenoxy)-1-[(3S)-3-(3,4-dimethoxybenzoyl)-1-piperidyl]ethanone CAS Name: 2-(4-chloro-2-methylphenoxy)-1-[(3S)-3-[(3,4-dimethoxyphenyl)-oxomethyl]-1-piperidinyl]ethanone IUPAC Name: 2-(4-chloro-2-methylphenoxy)-1-[(3S)-3-(3,4-dimethoxybenzoyl)piperidin-1-yl]ethanone Traditional Name: 2-(4-chloro-2-methyl-phenoxy)-1-[(3S)-3-veratroylpiperidino]ethanone Formula: C23H26ClNO5 MolecularWeight: 431.90924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)OCC(=O)N2CCCC(C2)C(=O)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)OCC(=O)N2CCC[C@@H](C2)C(=O)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C23H26ClNO5/c1-15-11-18(24)7-9-19(15)30-14-22(26)25-10-4-5-17(13-25)23(27)16-6-8-20(28-2)21(12-16)29-3/h6-9,11-12,17H,4-5,10,13-14H2,1-3H3/t17-/m0/s1