2-[4-(2-chloranylpyrimidin-5-yl)piperazin-1-yl]ethyl 4-azanyl-5-chloranyl-2-methoxy-benzoate

Systemtic Name: 2-[4-(2-chloranylpyrimidin-5-yl)piperazin-1-yl]ethyl 4-azanyl-5-chloranyl-2-methoxy-benzoate Openeye Name: 2-[4-(2-chloropyrimidin-5-yl)piperazin-1-yl]ethyl 4-amino-5-chloro-2-methoxy-benzoate CAS Name: 4-amino-5-chloro-2-methoxybenzoic acid 2-[4-(2-chloro-5-pyrimidinyl)-1-piperazinyl]ethyl ester IUPAC Name: 2-[4-(2-chloropyrimidin-5-yl)piperazin-1-yl]ethyl 4-amino-5-chloro-2-methoxybenzoate Traditional Name: 4-amino-5-chloro-2-methoxy-benzoic acid 2-[4-(2-chloropyrimidin-5-yl)piperazino]ethyl ester Formula: C18H21Cl2N5O3 MolecularWeight: 426.29704

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21Cl2N5O3/c1-27-16-9-15(21)14(19)8-13(16)17(26)28-7-6-24-2-4-25(5-3-24)12-10-22-18(20)23-11-12/h8-11H,2-7,21H2,1H3