8-(cyclohexylmethoxy)-5-oxidanylidene-3,4-dihydro-2H-1-benzoxepine-7-carboxylic acid

Systemtic Name: 8-(cyclohexylmethoxy)-5-oxidanylidene-3,4-dihydro-2H-1-benzoxepine-7-carboxylic acid Openeye Name: 8-(cyclohexylmethoxy)-5-oxo-3,4-dihydro-2H-1-benzoxepine-7-carboxylic acid CAS Name: 8-(cyclohexylmethoxy)-5-oxo-3,4-dihydro-2H-1-benzoxepin-7-carboxylic acid IUPAC Name: 8-(cyclohexylmethoxy)-5-oxo-3,4-dihydro-2H-1-benzoxepine-7-carboxylic acid Traditional Name: 8-(cyclohexylmethoxy)-5-keto-3,4-dihydro-2H-1-benzoxepin-7-carboxylic acid Formula: C18H22O5 MolecularWeight: 318.36428

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)COC2=C(C=C3C(=O)CCCOC3=C2)C(=O)O

Isomeric SMILES

C1CCC(CC1)COC2=C(C=C3C(=O)CCCOC3=C2)C(=O)O

InChI

InChI=1S/C18H22O5/c19-15-7-4-8-22-16-10-17(14(18(20)21)9-13(15)16)23-11-12-5-2-1-3-6-12/h9-10,12H,1-8,11H2,(H,20,21)