(1R,2S)-2-[(5-chloranyl-2-hexoxy-phenyl)methylcarbamoyl]cyclohexane-1-carboxylate

Systemtic Name: (1R,2S)-2-[(5-chloranyl-2-hexoxy-phenyl)methylcarbamoyl]cyclohexane-1-carboxylate Openeye Name: (1R,2S)-2-[(5-chloro-2-hexoxy-phenyl)methylcarbamoyl]cyclohexanecarboxylate CAS Name: (1R,2S)-2-[[(5-chloro-2-hexoxyphenyl)methylamino]-oxomethyl]-1-cyclohexanecarboxylate IUPAC Name: (1R,2S)-2-[(5-chloro-2-hexoxyphenyl)methylcarbamoyl]cyclohexane-1-carboxylate Traditional Name: (1R,2S)-2-[(5-chloro-2-hexoxy-benzyl)carbamoyl]cyclohexanecarboxylate Formula: C21H29ClNO4- MolecularWeight: 394.91226

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)Cl)CNC(=O)C2CCCCC2C(=O)[O-]

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)Cl)CNC(=O)[C@H]2CCCC[C@H]2C(=O)[O-]

InChI

InChI=1S/C21H30ClNO4/c1-2-3-4-7-12-27-19-11-10-16(22)13-15(19)14-23-20(24)17-8-5-6-9-18(17)21(25)26/h10-11,13,17-18H,2-9,12,14H2,1H3,(H,23,24)(H,25,26)/p-1/t17-,18+/m0/s1