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

Systemtic Name: 2-(4-pyrimidin-5-ylpiperazin-1-yl)ethyl 4-azanyl-5-chloranyl-2-methoxy-benzoate Openeye Name: 2-(4-pyrimidin-5-ylpiperazin-1-yl)ethyl 4-amino-5-chloro-2-methoxy-benzoate CAS Name: 4-amino-5-chloro-2-methoxybenzoic acid 2-[4-(5-pyrimidinyl)-1-piperazinyl]ethyl ester IUPAC Name: 2-(4-pyrimidin-5-ylpiperazin-1-yl)ethyl 4-amino-5-chloro-2-methoxybenzoate Traditional Name: 4-amino-5-chloro-2-methoxy-benzoic acid 2-[4-(5-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=CN=CN=C3)Cl)N

Isomeric SMILES

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

InChI

InChI=1S/C18H22ClN5O3/c1-26-17-9-16(20)15(19)8-14(17)18(25)27-7-6-23-2-4-24(5-3-23)13-10-21-12-22-11-13/h8-12H,2-7,20H2,1H3