4-[(2-cyclohexylethanoylamino)methyl]benzoic acid

Systemtic Name: 4-[(2-cyclohexylethanoylamino)methyl]benzoic acid Openeye Name: 4-[[(2-cyclohexylacetyl)amino]methyl]benzoic acid CAS Name: 4-[[(2-cyclohexyl-1-oxoethyl)amino]methyl]benzoic acid IUPAC Name: 4-[[(2-cyclohexylacetyl)amino]methyl]benzoic acid Traditional Name: 4-[[(2-cyclohexylacetyl)amino]methyl]benzoic acid Formula: C16H21NO3 MolecularWeight: 275.34284

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC(=O)NCC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

C1CCC(CC1)CC(=O)NCC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C16H21NO3/c18-15(10-12-4-2-1-3-5-12)17-11-13-6-8-14(9-7-13)16(19)20/h6-9,12H,1-5,10-11H2,(H,17,18)(H,19,20)