4-(phenethylcarbamoyl)cyclohexane-1-carboxylic acid

Systemtic Name: 4-(phenethylcarbamoyl)cyclohexane-1-carboxylic acid Openeye Name: 4-(phenethylcarbamoyl)cyclohexanecarboxylic acid CAS Name: 4-[oxo-(phenethylamino)methyl]-1-cyclohexanecarboxylic acid IUPAC Name: 4-(phenethylcarbamoyl)cyclohexane-1-carboxylic acid Traditional Name: 4-(phenethylcarbamoyl)cyclohexanecarboxylic acid Formula: C16H21NO3 MolecularWeight: 275.34284

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1C(=O)NCCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

C1CC(CCC1C(=O)NCCC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C16H21NO3/c18-15(13-6-8-14(9-7-13)16(19)20)17-11-10-12-4-2-1-3-5-12/h1-5,13-14H,6-11H2,(H,17,18)(H,19,20)