4-cyano-4-(6-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-9-yl)cyclohexane-1-carboxylic acid

Systemtic Name: 4-cyano-4-(6-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-9-yl)cyclohexane-1-carboxylic acid Openeye Name: 4-cyano-4-(6-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-9-yl)cyclohexanecarboxylic acid CAS Name: 4-cyano-4-(6-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-9-yl)-1-cyclohexanecarboxylic acid IUPAC Name: 4-cyano-4-(6-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-9-yl)cyclohexane-1-carboxylic acid Traditional Name: 4-cyano-4-(6-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-9-yl)cyclohexanecarboxylic acid Formula: C18H21NO5 MolecularWeight: 331.36304

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=C(C=C1)C3(CCC(CC3)C(=O)O)C#N)OCCCO2

Isomeric SMILES

COC1=C2C(=C(C=C1)C3(CCC(CC3)C(=O)O)C#N)OCCCO2

InChI

InChI=1S/C18H21NO5/c1-22-14-4-3-13(15-16(14)24-10-2-9-23-15)18(11-19)7-5-12(6-8-18)17(20)21/h3-4,12H,2,5-10H2,1H3,(H,20,21)