4-cyano-4-(7-methoxy-1,3-benzodioxol-4-yl)cyclohexane-1-carboxylic acid

Systemtic Name: 4-cyano-4-(7-methoxy-1,3-benzodioxol-4-yl)cyclohexane-1-carboxylic acid Openeye Name: 4-cyano-4-(7-methoxy-1,3-benzodioxol-4-yl)cyclohexanecarboxylic acid CAS Name: 4-cyano-4-(7-methoxy-1,3-benzodioxol-4-yl)-1-cyclohexanecarboxylic acid IUPAC Name: 4-cyano-4-(7-methoxy-1,3-benzodioxol-4-yl)cyclohexane-1-carboxylic acid Traditional Name: 4-cyano-4-(7-methoxy-1,3-benzodioxol-4-yl)cyclohexanecarboxylic acid Formula: C16H17NO5 MolecularWeight: 303.30988

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=C(C=C1)C3(CCC(CC3)C(=O)O)C#N)OCO2

Isomeric SMILES

COC1=C2C(=C(C=C1)C3(CCC(CC3)C(=O)O)C#N)OCO2

InChI

InChI=1S/C16H17NO5/c1-20-12-3-2-11(13-14(12)22-9-21-13)16(8-17)6-4-10(5-7-16)15(18)19/h2-3,10H,4-7,9H2,1H3,(H,18,19)