4-[2-(4,4-dimethylcyclohexyl)-4-morpholin-4-yl-phenyl]piperazine-1-carboxylic acid

Systemtic Name: 4-[2-(4,4-dimethylcyclohexyl)-4-morpholin-4-yl-phenyl]piperazine-1-carboxylic acid Openeye Name: 4-[2-(4,4-dimethylcyclohexyl)-4-morpholino-phenyl]piperazine-1-carboxylic acid CAS Name: 4-[2-(4,4-dimethylcyclohexyl)-4-(4-morpholinyl)phenyl]-1-piperazinecarboxylic acid IUPAC Name: 4-[2-(4,4-dimethylcyclohexyl)-4-morpholin-4-ylphenyl]piperazine-1-carboxylic acid Traditional Name: 4-[2-(4,4-dimethylcyclohexyl)-4-morpholino-phenyl]piperazine-1-carboxylic acid Formula: C23H35N3O3 MolecularWeight: 401.5423

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC(CC1)C2=C(C=CC(=C2)N3CCOCC3)N4CCN(CC4)C(=O)O)C

Isomeric SMILES

CC1(CCC(CC1)C2=C(C=CC(=C2)N3CCOCC3)N4CCN(CC4)C(=O)O)C

InChI

InChI=1S/C23H35N3O3/c1-23(2)7-5-18(6-8-23)20-17-19(24-13-15-29-16-14-24)3-4-21(20)25-9-11-26(12-10-25)22(27)28/h3-4,17-18H,5-16H2,1-2H3,(H,27,28)