(1S,2R)-2-[4-(2-ethoxyphenyl)piperazin-1-yl]carbonylcyclohexane-1-carboxylate

Systemtic Name: (1S,2R)-2-[4-(2-ethoxyphenyl)piperazin-1-yl]carbonylcyclohexane-1-carboxylate Openeye Name: (1S,2R)-2-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]cyclohexanecarboxylate CAS Name: (1S,2R)-2-[[4-(2-ethoxyphenyl)-1-piperazinyl]-oxomethyl]-1-cyclohexanecarboxylate IUPAC Name: (1S,2R)-2-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]cyclohexane-1-carboxylate Traditional Name: (1S,2R)-2-(4-o-phenetylpiperazine-1-carbonyl)cyclohexanecarboxylate Formula: C20H27N2O4- MolecularWeight: 359.43938

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CCN(CC2)C(=O)C3CCCCC3C(=O)[O-]

Isomeric SMILES

CCOC1=CC=CC=C1N2CCN(CC2)C(=O)[C@@H]3CCCC[C@@H]3C(=O)[O-]

InChI

InChI=1S/C20H28N2O4/c1-2-26-18-10-6-5-9-17(18)21-11-13-22(14-12-21)19(23)15-7-3-4-8-16(15)20(24)25/h5-6,9-10,15-16H,2-4,7-8,11-14H2,1H3,(H,24,25)/p-1/t15-,16+/m1/s1