ethyl 2-chloranyl-4-[2-(pyrimidin-2-ylamino)piperidin-1-yl]benzoate

Systemtic Name: ethyl 2-chloranyl-4-[2-(pyrimidin-2-ylamino)piperidin-1-yl]benzoate Openeye Name: ethyl 2-chloro-4-[2-(pyrimidin-2-ylamino)-1-piperidyl]benzoate CAS Name: 2-chloro-4-[2-(2-pyrimidinylamino)-1-piperidinyl]benzoic acid ethyl ester IUPAC Name: ethyl 2-chloro-4-[2-(pyrimidin-2-ylamino)piperidin-1-yl]benzoate Traditional Name: 2-chloro-4-[2-(2-pyrimidylamino)piperidino]benzoic acid ethyl ester Formula: C18H21ClN4O2 MolecularWeight: 360.83794

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(C=C1)N2CCCCC2NC3=NC=CC=N3)Cl

Isomeric SMILES

CCOC(=O)C1=C(C=C(C=C1)N2CCCCC2NC3=NC=CC=N3)Cl

InChI

InChI=1S/C18H21ClN4O2/c1-2-25-17(24)14-8-7-13(12-15(14)19)23-11-4-3-6-16(23)22-18-20-9-5-10-21-18/h5,7-10,12,16H,2-4,6,11H2,1H3,(H,20,21,22)