methyl (2S)-2-[4-[[4-[3,4-bis(chloranyl)-2-methyl-phenoxy]piperidin-1-yl]methyl]piperidin-1-yl]-3-cyclohexyl-propanoate

Systemtic Name: methyl (2S)-2-[4-[[4-[3,4-bis(chloranyl)-2-methyl-phenoxy]piperidin-1-yl]methyl]piperidin-1-yl]-3-cyclohexyl-propanoate Openeye Name: methyl (2S)-3-cyclohexyl-2-[4-[[4-(3,4-dichloro-2-methyl-phenoxy)-1-piperidyl]methyl]-1-piperidyl]propanoate CAS Name: (2S)-3-cyclohexyl-2-[4-[[4-(3,4-dichloro-2-methylphenoxy)-1-piperidinyl]methyl]-1-piperidinyl]propanoic acid methyl ester IUPAC Name: methyl (2S)-3-cyclohexyl-2-[4-[[4-(3,4-dichloro-2-methylphenoxy)piperidin-1-yl]methyl]piperidin-1-yl]propanoate Traditional Name: (2S)-3-cyclohexyl-2-[4-[[4-(3,4-dichloro-2-methyl-phenoxy)piperidino]methyl]piperidino]propionic acid methyl ester Formula: C28H42Cl2N2O3 MolecularWeight: 525.55068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1Cl)Cl)OC2CCN(CC2)CC3CCN(CC3)C(CC4CCCCC4)C(=O)OC

Isomeric SMILES

CC1=C(C=CC(=C1Cl)Cl)OC2CCN(CC2)CC3CCN(CC3)[C@@H](CC4CCCCC4)C(=O)OC

InChI

InChI=1S/C28H42Cl2N2O3/c1-20-26(9-8-24(29)27(20)30)35-23-12-14-31(15-13-23)19-22-10-16-32(17-11-22)25(28(33)34-2)18-21-6-4-3-5-7-21/h8-9,21-23,25H,3-7,10-19H2,1-2H3/t25-/m0/s1