(1R,3S)-3-(3-cyclopentyloxy-4-methoxy-phenyl)-3-ethynyl-cyclohexane-1-carboxylic acid

Systemtic Name: (1R,3S)-3-(3-cyclopentyloxy-4-methoxy-phenyl)-3-ethynyl-cyclohexane-1-carboxylic acid Openeye Name: (1R,3S)-3-[3-(cyclopentoxy)-4-methoxy-phenyl]-3-ethynyl-cyclohexanecarboxylic acid CAS Name: (1R,3S)-3-(3-cyclopentyloxy-4-methoxyphenyl)-3-ethynyl-1-cyclohexanecarboxylic acid IUPAC Name: (1R,3S)-3-(3-cyclopentyloxy-4-methoxyphenyl)-3-ethynylcyclohexane-1-carboxylic acid Traditional Name: (1R,3S)-3-[3-(cyclopentoxy)-4-methoxy-phenyl]-3-ethynyl-cyclohexanecarboxylic acid Formula: C21H26O4 MolecularWeight: 342.42874

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2(CCCC(C2)C(=O)O)C#C)OC3CCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)[C@]2(CCC[C@H](C2)C(=O)O)C#C)OC3CCCC3

InChI

InChI=1S/C21H26O4/c1-3-21(12-6-7-15(14-21)20(22)23)16-10-11-18(24-2)19(13-16)25-17-8-4-5-9-17/h1,10-11,13,15,17H,4-9,12,14H2,2H3,(H,22,23)/t15-,21+/m1/s1