4-[3-(cyclopentylmethyl)-4-methoxy-phenyl]-4-isocyano-cyclohexane-1-carboxylic acid

Systemtic Name: 4-[3-(cyclopentylmethyl)-4-methoxy-phenyl]-4-isocyano-cyclohexane-1-carboxylic acid Openeye Name: 4-[3-(cyclopentylmethyl)-4-methoxy-phenyl]-4-isocyano-cyclohexanecarboxylic acid CAS Name: 4-[3-(cyclopentylmethyl)-4-methoxyphenyl]-4-isocyano-1-cyclohexanecarboxylic acid IUPAC Name: 4-[3-(cyclopentylmethyl)-4-methoxyphenyl]-4-isocyanocyclohexane-1-carboxylic acid Traditional Name: 4-[3-(cyclopentylmethyl)-4-methoxy-phenyl]-4-isocyano-cyclohexanecarboxylic acid Formula: C21H27NO3 MolecularWeight: 341.44398

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2(CCC(CC2)C(=O)O)[N+]#[C-])CC3CCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)C2(CCC(CC2)C(=O)O)[N+]#[C-])CC3CCCC3

InChI

InChI=1S/C21H27NO3/c1-22-21(11-9-16(10-12-21)20(23)24)18-7-8-19(25-2)17(14-18)13-15-5-3-4-6-15/h7-8,14-16H,3-6,9-13H2,2H3,(H,23,24)