(1R,2S)-2-[(2-hexoxy-4-methoxy-phenyl)methylcarbamoyl]cyclohexane-1-carboxylate

Systemtic Name: (1R,2S)-2-[(2-hexoxy-4-methoxy-phenyl)methylcarbamoyl]cyclohexane-1-carboxylate Openeye Name: (1R,2S)-2-[(2-hexoxy-4-methoxy-phenyl)methylcarbamoyl]cyclohexanecarboxylate CAS Name: (1R,2S)-2-[[(2-hexoxy-4-methoxyphenyl)methylamino]-oxomethyl]-1-cyclohexanecarboxylate IUPAC Name: (1R,2S)-2-[(2-hexoxy-4-methoxyphenyl)methylcarbamoyl]cyclohexane-1-carboxylate Traditional Name: (1R,2S)-2-[(2-hexoxy-4-methoxy-benzyl)carbamoyl]cyclohexanecarboxylate Formula: C22H32NO5- MolecularWeight: 390.49318

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H33NO5/c1-3-4-5-8-13-28-20-14-17(27-2)12-11-16(20)15-23-21(24)18-9-6-7-10-19(18)22(25)26/h11-12,14,18-19H,3-10,13,15H2,1-2H3,(H,23,24)(H,25,26)/p-1/t18-,19+/m0/s1