2-phenyl-3-(propanoylamino)cyclohexane-1-carboxylic acid

Systemtic Name: 2-phenyl-3-(propanoylamino)cyclohexane-1-carboxylic acid Openeye Name: 2-phenyl-3-(propanoylamino)cyclohexanecarboxylic acid CAS Name: 3-(1-oxopropylamino)-2-phenyl-1-cyclohexanecarboxylic acid IUPAC Name: 2-phenyl-3-(propanoylamino)cyclohexane-1-carboxylic acid Traditional Name: 2-phenyl-3-propionamido-cyclohexanecarboxylic acid Formula: C16H21NO3 MolecularWeight: 275.34284

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1CCCC(C1C2=CC=CC=C2)C(=O)O

Isomeric SMILES

CCC(=O)NC1CCCC(C1C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C16H21NO3/c1-2-14(18)17-13-10-6-9-12(16(19)20)15(13)11-7-4-3-5-8-11/h3-5,7-8,12-13,15H,2,6,9-10H2,1H3,(H,17,18)(H,19,20)