6-[2-[[2-(3-methoxy-3-oxidanylidene-propyl)phenoxy]methyl]cyclohexyl]naphthalene-2-carboxylic acid

Systemtic Name: 6-[2-[[2-(3-methoxy-3-oxidanylidene-propyl)phenoxy]methyl]cyclohexyl]naphthalene-2-carboxylic acid Openeye Name: 6-[2-[[2-(3-methoxy-3-oxo-propyl)phenoxy]methyl]cyclohexyl]naphthalene-2-carboxylic acid CAS Name: 6-[2-[[2-(3-methoxy-3-oxopropyl)phenoxy]methyl]cyclohexyl]-2-naphthalenecarboxylic acid IUPAC Name: 6-[2-[[2-(3-methoxy-3-oxopropyl)phenoxy]methyl]cyclohexyl]naphthalene-2-carboxylic acid Traditional Name: 6-[2-[[2-(3-keto-3-methoxy-propyl)phenoxy]methyl]cyclohexyl]-2-naphthoic acid Formula: C28H30O5 MolecularWeight: 446.5348

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=CC=CC=C1OCC2CCCCC2C3=CC4=C(C=C3)C=C(C=C4)C(=O)O

Isomeric SMILES

COC(=O)CCC1=CC=CC=C1OCC2CCCCC2C3=CC4=C(C=C3)C=C(C=C4)C(=O)O

InChI

InChI=1S/C28H30O5/c1-32-27(29)15-14-19-6-3-5-9-26(19)33-18-24-7-2-4-8-25(24)22-12-10-21-17-23(28(30)31)13-11-20(21)16-22/h3,5-6,9-13,16-17,24-25H,2,4,7-8,14-15,18H2,1H3,(H,30,31)