4-[2-(4,4-diethylcyclohexyl)-5-methoxy-4-morpholin-4-yl-phenyl]piperazine-1-carboxylic acid

Systemtic Name: 4-[2-(4,4-diethylcyclohexyl)-5-methoxy-4-morpholin-4-yl-phenyl]piperazine-1-carboxylic acid Openeye Name: 4-[2-(4,4-diethylcyclohexyl)-5-methoxy-4-morpholino-phenyl]piperazine-1-carboxylic acid CAS Name: 4-[2-(4,4-diethylcyclohexyl)-5-methoxy-4-(4-morpholinyl)phenyl]-1-piperazinecarboxylic acid IUPAC Name: 4-[2-(4,4-diethylcyclohexyl)-5-methoxy-4-morpholin-4-ylphenyl]piperazine-1-carboxylic acid Traditional Name: 4-[2-(4,4-diethylcyclohexyl)-5-methoxy-4-morpholino-phenyl]piperazine-1-carboxylic acid Formula: C26H41N3O4 MolecularWeight: 459.62144

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CCC(CC1)C2=CC(=C(C=C2N3CCN(CC3)C(=O)O)OC)N4CCOCC4)CC

Isomeric SMILES

CCC1(CCC(CC1)C2=CC(=C(C=C2N3CCN(CC3)C(=O)O)OC)N4CCOCC4)CC

InChI

InChI=1S/C26H41N3O4/c1-4-26(5-2)8-6-20(7-9-26)21-18-23(28-14-16-33-17-15-28)24(32-3)19-22(21)27-10-12-29(13-11-27)25(30)31/h18-20H,4-17H2,1-3H3,(H,30,31)