(1R,2R)-2-(4-phenylbutylcarbamoyl)cyclohexane-1-carboxylate

Systemtic Name: (1R,2R)-2-(4-phenylbutylcarbamoyl)cyclohexane-1-carboxylate Openeye Name: (1R,2R)-2-(4-phenylbutylcarbamoyl)cyclohexanecarboxylate CAS Name: (1R,2R)-2-[oxo-(4-phenylbutylamino)methyl]-1-cyclohexanecarboxylate IUPAC Name: (1R,2R)-2-(4-phenylbutylcarbamoyl)cyclohexane-1-carboxylate Traditional Name: (1R,2R)-2-(4-phenylbutylcarbamoyl)cyclohexanecarboxylate Formula: C18H24NO3- MolecularWeight: 302.38806

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C(=O)NCCCCC2=CC=CC=C2)C(=O)[O-]

Isomeric SMILES

C1CC[C@H]([C@@H](C1)C(=O)NCCCCC2=CC=CC=C2)C(=O)[O-]

InChI

InChI=1S/C18H25NO3/c20-17(15-11-4-5-12-16(15)18(21)22)19-13-7-6-10-14-8-2-1-3-9-14/h1-3,8-9,15-16H,4-7,10-13H2,(H,19,20)(H,21,22)/p-1/t15-,16-/m1/s1