[3-(piperidin-1-ylmethyl)phenyl] 3,4,5-trimethoxybenzoate chloride

Systemtic Name: [3-(piperidin-1-ylmethyl)phenyl] 3,4,5-trimethoxybenzoate chloride Openeye Name: [3-(1-piperidylmethyl)phenyl] 3,4,5-trimethoxybenzoate chloride CAS Name: 3,4,5-trimethoxybenzoic acid [3-(1-piperidinylmethyl)phenyl] ester chloride IUPAC Name: [3-(piperidin-1-ylmethyl)phenyl] 3,4,5-trimethoxybenzoate chloride Traditional Name: 3,4,5-trimethoxybenzoic acid [3-(piperidinomethyl)phenyl] ester chloride Formula: C22H27ClNO5- MolecularWeight: 420.90648

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)OC2=CC=CC(=C2)CN3CCCCC3.[Cl-]

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)OC2=CC=CC(=C2)CN3CCCCC3.[Cl-]

InChI

InChI=1S/C22H27NO5.ClH/c1-25-19-13-17(14-20(26-2)21(19)27-3)22(24)28-18-9-7-8-16(12-18)15-23-10-5-4-6-11-23;/h7-9,12-14H,4-6,10-11,15H2,1-3H3;1H/p-1