(1S,2R)-2-(3-phenylpropylcarbamoyl)cyclohexane-1-carboxylate

Systemtic Name: (1S,2R)-2-(3-phenylpropylcarbamoyl)cyclohexane-1-carboxylate Openeye Name: (1S,2R)-2-(3-phenylpropylcarbamoyl)cyclohexanecarboxylate CAS Name: (1S,2R)-2-[oxo-(3-phenylpropylamino)methyl]-1-cyclohexanecarboxylate IUPAC Name: (1S,2R)-2-(3-phenylpropylcarbamoyl)cyclohexane-1-carboxylate Traditional Name: (1S,2R)-2-(3-phenylpropylcarbamoyl)cyclohexanecarboxylate Formula: C17H22NO3- MolecularWeight: 288.36148

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C(=O)NCCCC2=CC=CC=C2)C(=O)[O-]

Isomeric SMILES

C1CC[C@@H]([C@@H](C1)C(=O)NCCCC2=CC=CC=C2)C(=O)[O-]

InChI

InChI=1S/C17H23NO3/c19-16(14-10-4-5-11-15(14)17(20)21)18-12-6-9-13-7-2-1-3-8-13/h1-3,7-8,14-15H,4-6,9-12H2,(H,18,19)(H,20,21)/p-1/t14-,15+/m1/s1