(1R,2S)-2-[4-[2-(3-methoxyphenoxy)ethyl]piperazin-1-yl]carbonylcyclohexane-1-carboxylate

Systemtic Name: (1R,2S)-2-[4-[2-(3-methoxyphenoxy)ethyl]piperazin-1-yl]carbonylcyclohexane-1-carboxylate Openeye Name: (1R,2S)-2-[4-[2-(3-methoxyphenoxy)ethyl]piperazine-1-carbonyl]cyclohexanecarboxylate CAS Name: (1R,2S)-2-[[4-[2-(3-methoxyphenoxy)ethyl]-1-piperazinyl]-oxomethyl]-1-cyclohexanecarboxylate IUPAC Name: (1R,2S)-2-[4-[2-(3-methoxyphenoxy)ethyl]piperazine-1-carbonyl]cyclohexane-1-carboxylate Traditional Name: (1R,2S)-2-[4-[2-(3-methoxyphenoxy)ethyl]piperazine-1-carbonyl]cyclohexanecarboxylate Formula: C21H29N2O5- MolecularWeight: 389.46536

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC=C1)OCCN2CCN(CC2)C(=O)C3CCCCC3C(=O)[O-]

Isomeric SMILES

COC1=CC(=CC=C1)OCCN2CCN(CC2)C(=O)[C@H]3CCCC[C@H]3C(=O)[O-]

InChI

InChI=1S/C21H30N2O5/c1-27-16-5-4-6-17(15-16)28-14-13-22-9-11-23(12-10-22)20(24)18-7-2-3-8-19(18)21(25)26/h4-6,15,18-19H,2-3,7-14H2,1H3,(H,25,26)/p-1/t18-,19+/m0/s1