4,5-bis(chloranyl)-2-[(3S)-3-propoxypiperidin-1-yl]carbonyl-benzoate

Systemtic Name: 4,5-bis(chloranyl)-2-[(3S)-3-propoxypiperidin-1-yl]carbonyl-benzoate Openeye Name: 4,5-dichloro-2-[(3S)-3-propoxypiperidine-1-carbonyl]benzoate CAS Name: 4,5-dichloro-2-[oxo-[(3S)-3-propoxy-1-piperidinyl]methyl]benzoate IUPAC Name: 4,5-dichloro-2-[(3S)-3-propoxypiperidine-1-carbonyl]benzoate Traditional Name: 4,5-dichloro-2-[(3S)-3-propoxypiperidine-1-carbonyl]benzoate Formula: C16H18Cl2NO4- MolecularWeight: 359.22442

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1CCCN(C1)C(=O)C2=CC(=C(C=C2C(=O)[O-])Cl)Cl

Isomeric SMILES

CCCO[C@H]1CCCN(C1)C(=O)C2=CC(=C(C=C2C(=O)[O-])Cl)Cl

InChI

InChI=1S/C16H19Cl2NO4/c1-2-6-23-10-4-3-5-19(9-10)15(20)11-7-13(17)14(18)8-12(11)16(21)22/h7-8,10H,2-6,9H2,1H3,(H,21,22)/p-1/t10-/m0/s1