4-(3-cyclopentyloxy-4-methoxy-phenyl)-4-isocyano-cyclohexane-1-carboxylic acid

Systemtic Name: 4-(3-cyclopentyloxy-4-methoxy-phenyl)-4-isocyano-cyclohexane-1-carboxylic acid Openeye Name: 4-[3-(cyclopentoxy)-4-methoxy-phenyl]-4-isocyano-cyclohexanecarboxylic acid CAS Name: 4-(3-cyclopentyloxy-4-methoxyphenyl)-4-isocyano-1-cyclohexanecarboxylic acid IUPAC Name: 4-(3-cyclopentyloxy-4-methoxyphenyl)-4-isocyanocyclohexane-1-carboxylic acid Traditional Name: 4-[3-(cyclopentoxy)-4-methoxy-phenyl]-4-isocyano-cyclohexanecarboxylic acid Formula: C20H25NO4 MolecularWeight: 343.4168

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2(CCC(CC2)C(=O)O)[N+]#[C-])OC3CCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)C2(CCC(CC2)C(=O)O)[N+]#[C-])OC3CCCC3

InChI

InChI=1S/C20H25NO4/c1-21-20(11-9-14(10-12-20)19(22)23)15-7-8-17(24-2)18(13-15)25-16-5-3-4-6-16/h7-8,13-14,16H,3-6,9-12H2,2H3,(H,22,23)