4-[5-[4-(azepan-4-yl)phenyl]-2-oxidanylidene-imidazolidin-1-yl]cyclohexane-1-carboxylic acid

Systemtic Name: 4-[5-[4-(azepan-4-yl)phenyl]-2-oxidanylidene-imidazolidin-1-yl]cyclohexane-1-carboxylic acid Openeye Name: 4-[5-[4-(azepan-4-yl)phenyl]-2-oxo-imidazolidin-1-yl]cyclohexanecarboxylic acid CAS Name: 4-[5-[4-(4-azepanyl)phenyl]-2-oxo-1-imidazolidinyl]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[5-[4-(azepan-4-yl)phenyl]-2-oxoimidazolidin-1-yl]cyclohexane-1-carboxylic acid Traditional Name: 4-[5-[4-(azepan-4-yl)phenyl]-2-keto-imidazolidin-1-yl]cyclohexanecarboxylic acid Formula: C22H31N3O3 MolecularWeight: 385.49984

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCNC1)C2=CC=C(C=C2)C3CNC(=O)N3C4CCC(CC4)C(=O)O

Isomeric SMILES

C1CC(CCNC1)C2=CC=C(C=C2)C3CNC(=O)N3C4CCC(CC4)C(=O)O

InChI

InChI=1S/C22H31N3O3/c26-21(27)18-7-9-19(10-8-18)25-20(14-24-22(25)28)17-5-3-16(4-6-17)15-2-1-12-23-13-11-15/h3-6,15,18-20,23H,1-2,7-14H2,(H,24,28)(H,26,27)