ethyl 1-[5-chloranyl-4-(2-methylindolizin-3-yl)carbonyl-pyrimidin-2-yl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[5-chloranyl-4-(2-methylindolizin-3-yl)carbonyl-pyrimidin-2-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[5-chloro-4-(2-methylindolizine-3-carbonyl)pyrimidin-2-yl]piperidine-4-carboxylate CAS Name: 1-[5-chloro-4-[(2-methyl-3-indolizinyl)-oxomethyl]-2-pyrimidinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[5-chloro-4-(2-methylindolizine-3-carbonyl)pyrimidin-2-yl]piperidine-4-carboxylate Traditional Name: 1-[5-chloro-4-(2-methylindolizine-3-carbonyl)pyrimidin-2-yl]isonipecotic acid ethyl ester Formula: C22H23ClN4O3 MolecularWeight: 426.89602

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=NC=C(C(=N2)C(=O)C3=C(C=C4N3C=CC=C4)C)Cl

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=NC=C(C(=N2)C(=O)C3=C(C=C4N3C=CC=C4)C)Cl

InChI

InChI=1S/C22H23ClN4O3/c1-3-30-21(29)15-7-10-26(11-8-15)22-24-13-17(23)18(25-22)20(28)19-14(2)12-16-6-4-5-9-27(16)19/h4-6,9,12-13,15H,3,7-8,10-11H2,1-2H3