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

Systemtic Name: 2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl 4-azanyl-5-chloranyl-2-methoxy-benzoate Openeye Name: 2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl 4-amino-5-chloro-2-methoxy-benzoate CAS Name: 4-amino-5-chloro-2-methoxybenzoic acid 2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl ester IUPAC Name: 2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl 4-amino-5-chloro-2-methoxybenzoate Traditional Name: 4-amino-5-chloro-2-methoxy-benzoic acid 2-[4-(2-pyrimidyl)piperazino]ethyl ester Formula: C18H22ClN5O3 MolecularWeight: 391.85198

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)OCCN2CCN(CC2)C3=NC=CC=N3)Cl)N

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)OCCN2CCN(CC2)C3=NC=CC=N3)Cl)N

InChI

InChI=1S/C18H22ClN5O3/c1-26-16-12-15(20)14(19)11-13(16)17(25)27-10-9-23-5-7-24(8-6-23)18-21-3-2-4-22-18/h2-4,11-12H,5-10,20H2,1H3