4-(diethylamino)-2-(1-oxidanylcycloheptyl)-2-phenyl-butanoic acid

Systemtic Name: 4-(diethylamino)-2-(1-oxidanylcycloheptyl)-2-phenyl-butanoic acid Openeye Name: 4-(diethylamino)-2-(1-hydroxycycloheptyl)-2-phenyl-butanoic acid CAS Name: 4-(diethylamino)-2-(1-hydroxycycloheptyl)-2-phenylbutanoic acid IUPAC Name: 4-(diethylamino)-2-(1-hydroxycycloheptyl)-2-phenylbutanoic acid Traditional Name: 4-(diethylamino)-2-(1-hydroxycycloheptyl)-2-phenyl-butyric acid Formula: C21H33NO3 MolecularWeight: 347.49162

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCC(C1=CC=CC=C1)(C(=O)O)C2(CCCCCC2)O

Isomeric SMILES

CCN(CC)CCC(C1=CC=CC=C1)(C(=O)O)C2(CCCCCC2)O

InChI

InChI=1S/C21H33NO3/c1-3-22(4-2)17-16-21(19(23)24,18-12-8-7-9-13-18)20(25)14-10-5-6-11-15-20/h7-9,12-13,25H,3-6,10-11,14-17H2,1-2H3,(H,23,24)