2-(4-pyridin-4-ylpiperazin-1-yl)ethyl 4-azanyl-5-chloranyl-2-methoxy-benzoate

Systemtic Name: 2-(4-pyridin-4-ylpiperazin-1-yl)ethyl 4-azanyl-5-chloranyl-2-methoxy-benzoate Openeye Name: 2-[4-(4-pyridyl)piperazin-1-yl]ethyl 4-amino-5-chloro-2-methoxy-benzoate CAS Name: 4-amino-5-chloro-2-methoxybenzoic acid 2-(4-pyridin-4-yl-1-piperazinyl)ethyl ester IUPAC Name: 2-(4-pyridin-4-ylpiperazin-1-yl)ethyl 4-amino-5-chloro-2-methoxybenzoate Traditional Name: 4-amino-5-chloro-2-methoxy-benzoic acid 2-[4-(4-pyridyl)piperazino]ethyl ester Formula: C19H23ClN4O3 MolecularWeight: 390.86392

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)OCCN2CCN(CC2)C3=CC=NC=C3)Cl)N

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)OCCN2CCN(CC2)C3=CC=NC=C3)Cl)N

InChI

InChI=1S/C19H23ClN4O3/c1-26-18-13-17(21)16(20)12-15(18)19(25)27-11-10-23-6-8-24(9-7-23)14-2-4-22-5-3-14/h2-5,12-13H,6-11,21H2,1H3