ethyl 4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]benzoate

Systemtic Name: ethyl 4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]benzoate Openeye Name: ethyl 4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]benzoate CAS Name: 4-[(3R,5S)-3,5-dimethyl-1-piperazinyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]benzoate Traditional Name: 4-[(3R,5S)-3,5-dimethylpiperazino]benzoic acid ethyl ester Formula: C15H22N2O2 MolecularWeight: 262.34738

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2CC(NC(C2)C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2C[C@H](N[C@H](C2)C)C

InChI

InChI=1S/C15H22N2O2/c1-4-19-15(18)13-5-7-14(8-6-13)17-9-11(2)16-12(3)10-17/h5-8,11-12,16H,4,9-10H2,1-3H3/t11-,12+