sodium (2S)-2-[4-[[4-(4-chloranyl-2-methyl-phenoxy)piperidin-1-yl]methyl]piperidin-1-yl]-3-(4-fluorophenyl)-2-methyl-propanoate

Systemtic Name: sodium (2S)-2-[4-[[4-(4-chloranyl-2-methyl-phenoxy)piperidin-1-yl]methyl]piperidin-1-yl]-3-(4-fluorophenyl)-2-methyl-propanoate Openeye Name: sodium (2S)-2-[4-[[4-(4-chloro-2-methyl-phenoxy)-1-piperidyl]methyl]-1-piperidyl]-3-(4-fluorophenyl)-2-methyl-propanoate CAS Name: sodium (2S)-2-[4-[[4-(4-chloro-2-methylphenoxy)-1-piperidinyl]methyl]-1-piperidinyl]-3-(4-fluorophenyl)-2-methylpropanoate IUPAC Name: sodium (2S)-2-[4-[[4-(4-chloro-2-methylphenoxy)piperidin-1-yl]methyl]piperidin-1-yl]-3-(4-fluorophenyl)-2-methylpropanoate Traditional Name: sodium (2S)-2-[4-[[4-(4-chloro-2-methyl-phenoxy)piperidino]methyl]piperidino]-3-(4-fluorophenyl)-2-methyl-propionate Formula: C28H35ClFN2NaO3 MolecularWeight: 525.030273

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)OC2CCN(CC2)CC3CCN(CC3)C(C)(CC4=CC=C(C=C4)F)C(=O)[O-].[Na+]

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)OC2CCN(CC2)CC3CCN(CC3)[C@@](C)(CC4=CC=C(C=C4)F)C(=O)[O-].[Na+]

InChI

InChI=1S/C28H36ClFN2O3.Na/c1-20-17-23(29)5-8-26(20)35-25-11-13-31(14-12-25)19-22-9-15-32(16-10-22)28(2,27(33)34)18-21-3-6-24(30)7-4-21;/h3-8,17,22,25H,9-16,18-19H2,1-2H3,(H,33,34);/q;+1/p-1/t28-;/m0./s1