(1R,2S)-2-[4-(4-methoxyphenyl)piperazin-1-yl]carbonylcyclohexane-1-carboxylic acid

Systemtic Name: (1R,2S)-2-[4-(4-methoxyphenyl)piperazin-1-yl]carbonylcyclohexane-1-carboxylic acid Openeye Name: (1R,2S)-2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]cyclohexanecarboxylic acid CAS Name: (1R,2S)-2-[[4-(4-methoxyphenyl)-1-piperazinyl]-oxomethyl]-1-cyclohexanecarboxylic acid IUPAC Name: (1R,2S)-2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]cyclohexane-1-carboxylic acid Traditional Name: (1R,2S)-2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]cyclohexanecarboxylic acid Formula: C19H26N2O4 MolecularWeight: 346.42074

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)C3CCCCC3C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)[C@H]3CCCC[C@H]3C(=O)O

InChI

InChI=1S/C19H26N2O4/c1-25-15-8-6-14(7-9-15)20-10-12-21(13-11-20)18(22)16-4-2-3-5-17(16)19(23)24/h6-9,16-17H,2-5,10-13H2,1H3,(H,23,24)/t16-,17+/m0/s1