4-ethyl-3-[2-methoxy-4-(5-phenylpentan-2-yloxy)phenyl]cyclohexane-1-carboxylic acid

Systemtic Name: 4-ethyl-3-[2-methoxy-4-(5-phenylpentan-2-yloxy)phenyl]cyclohexane-1-carboxylic acid Openeye Name: 4-ethyl-3-[2-methoxy-4-(1-methyl-4-phenyl-butoxy)phenyl]cyclohexanecarboxylic acid CAS Name: 4-ethyl-3-[2-methoxy-4-(5-phenylpentan-2-yloxy)phenyl]-1-cyclohexanecarboxylic acid IUPAC Name: 4-ethyl-3-[2-methoxy-4-(5-phenylpentan-2-yloxy)phenyl]cyclohexane-1-carboxylic acid Traditional Name: 4-ethyl-3-[2-methoxy-4-(1-methyl-4-phenyl-butoxy)phenyl]cyclohexanecarboxylic acid Formula: C27H36O4 MolecularWeight: 424.57234

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC(CC1C2=C(C=C(C=C2)OC(C)CCCC3=CC=CC=C3)OC)C(=O)O

Isomeric SMILES

CCC1CCC(CC1C2=C(C=C(C=C2)OC(C)CCCC3=CC=CC=C3)OC)C(=O)O

InChI

InChI=1S/C27H36O4/c1-4-21-13-14-22(27(28)29)17-25(21)24-16-15-23(18-26(24)30-3)31-19(2)9-8-12-20-10-6-5-7-11-20/h5-7,10-11,15-16,18-19,21-22,25H,4,8-9,12-14,17H2,1-3H3,(H,28,29)