3-[5-[3-(methylamino)phenyl]-2-oxidanylidene-cyclohexyl]propanoic acid

Systemtic Name: 3-[5-[3-(methylamino)phenyl]-2-oxidanylidene-cyclohexyl]propanoic acid Openeye Name: 3-[5-[3-(methylamino)phenyl]-2-oxo-cyclohexyl]propanoic acid CAS Name: 3-[5-[3-(methylamino)phenyl]-2-oxocyclohexyl]propanoic acid IUPAC Name: 3-[5-[3-(methylamino)phenyl]-2-oxocyclohexyl]propanoic acid Traditional Name: 3-[2-keto-5-[3-(methylamino)phenyl]cyclohexyl]propionic acid Formula: C16H21NO3 MolecularWeight: 275.34284

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=CC=CC(=C1)C2CCC(=O)C(C2)CCC(=O)O

Isomeric SMILES

CNC1=CC=CC(=C1)C2CCC(=O)C(C2)CCC(=O)O

InChI

InChI=1S/C16H21NO3/c1-17-14-4-2-3-11(10-14)12-5-7-15(18)13(9-12)6-8-16(19)20/h2-4,10,12-13,17H,5-9H2,1H3,(H,19,20)