ethyl 1-[(6-chloranyl-3,4-dihydro-2H-chromen-3-yl)carbonyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[(6-chloranyl-3,4-dihydro-2H-chromen-3-yl)carbonyl]piperidine-3-carboxylate Openeye Name: ethyl 1-(6-chlorochromane-3-carbonyl)piperidine-3-carboxylate CAS Name: 1-[(6-chloro-3,4-dihydro-2H-1-benzopyran-3-yl)-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(6-chloro-3,4-dihydro-2H-chromene-3-carbonyl)piperidine-3-carboxylate Traditional Name: 1-(6-chlorochroman-3-carbonyl)nipecotic acid ethyl ester Formula: C18H22ClNO4 MolecularWeight: 351.82458

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2CC3=C(C=CC(=C3)Cl)OC2

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C2CC3=C(C=CC(=C3)Cl)OC2

InChI

InChI=1S/C18H22ClNO4/c1-2-23-18(22)12-4-3-7-20(10-12)17(21)14-8-13-9-15(19)5-6-16(13)24-11-14/h5-6,9,12,14H,2-4,7-8,10-11H2,1H3