(1S,2R)-2-[2-(3-phenethyloxyphenyl)ethylcarbamoyl]cyclohexane-1-carboxylate

Systemtic Name: (1S,2R)-2-[2-(3-phenethyloxyphenyl)ethylcarbamoyl]cyclohexane-1-carboxylate Openeye Name: (1S,2R)-2-[2-(3-phenethyloxyphenyl)ethylcarbamoyl]cyclohexanecarboxylate CAS Name: (1S,2R)-2-[oxo-[2-(3-phenethyloxyphenyl)ethylamino]methyl]-1-cyclohexanecarboxylate IUPAC Name: (1S,2R)-2-[2-(3-phenethyloxyphenyl)ethylcarbamoyl]cyclohexane-1-carboxylate Traditional Name: (1S,2R)-2-[2-(3-phenethyloxyphenyl)ethylcarbamoyl]cyclohexanecarboxylate Formula: C24H28NO4- MolecularWeight: 394.48342

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C(=O)NCCC2=CC(=CC=C2)OCCC3=CC=CC=C3)C(=O)[O-]

Isomeric SMILES

C1CC[C@@H]([C@@H](C1)C(=O)NCCC2=CC(=CC=C2)OCCC3=CC=CC=C3)C(=O)[O-]

InChI

InChI=1S/C24H29NO4/c26-23(21-11-4-5-12-22(21)24(27)28)25-15-13-19-9-6-10-20(17-19)29-16-14-18-7-2-1-3-8-18/h1-3,6-10,17,21-22H,4-5,11-16H2,(H,25,26)(H,27,28)/p-1/t21-,22+/m1/s1