2-[4-(2-chloranylpyridin-3-yl)carbonylpiperazin-1-yl]ethyl 3,4,5-trimethoxybenzoate

Systemtic Name: 2-[4-(2-chloranylpyridin-3-yl)carbonylpiperazin-1-yl]ethyl 3,4,5-trimethoxybenzoate Openeye Name: 2-[4-(2-chloropyridine-3-carbonyl)piperazin-1-yl]ethyl 3,4,5-trimethoxybenzoate CAS Name: 3,4,5-trimethoxybenzoic acid 2-[4-[(2-chloro-3-pyridinyl)-oxomethyl]-1-piperazinyl]ethyl ester IUPAC Name: 2-[4-(2-chloropyridine-3-carbonyl)piperazin-1-yl]ethyl 3,4,5-trimethoxybenzoate Traditional Name: 3,4,5-trimethoxybenzoic acid 2-[4-(2-chloronicotinoyl)piperazino]ethyl ester Formula: C22H26ClN3O6 MolecularWeight: 463.91134

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)OCCN2CCN(CC2)C(=O)C3=C(N=CC=C3)Cl

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)OCCN2CCN(CC2)C(=O)C3=C(N=CC=C3)Cl

InChI

InChI=1S/C22H26ClN3O6/c1-29-17-13-15(14-18(30-2)19(17)31-3)22(28)32-12-11-25-7-9-26(10-8-25)21(27)16-5-4-6-24-20(16)23/h4-6,13-14H,7-12H2,1-3H3