ethyl (3S)-1-(2-chloranylquinazolin-4-yl)piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-(2-chloranylquinazolin-4-yl)piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-(2-chloroquinazolin-4-yl)piperidine-3-carboxylate CAS Name: (3S)-1-(2-chloro-4-quinazolinyl)-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-(2-chloroquinazolin-4-yl)piperidine-3-carboxylate Traditional Name: (3S)-1-(2-chloroquinazolin-4-yl)nipecotic acid ethyl ester Formula: C16H18ClN3O2 MolecularWeight: 319.78602

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C2=NC(=NC3=CC=CC=C32)Cl

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)C2=NC(=NC3=CC=CC=C32)Cl

InChI

InChI=1S/C16H18ClN3O2/c1-2-22-15(21)11-6-5-9-20(10-11)14-12-7-3-4-8-13(12)18-16(17)19-14/h3-4,7-8,11H,2,5-6,9-10H2,1H3/t11-/m0/s1