methyl (3S)-2,2-dimethyl-3-oxidanyl-4-(2-oxidanylidenepiperidin-1-yl)-3,4-dihydrochromene-6-carboxylate

Systemtic Name: methyl (3S)-2,2-dimethyl-3-oxidanyl-4-(2-oxidanylidenepiperidin-1-yl)-3,4-dihydrochromene-6-carboxylate Openeye Name: methyl (3S)-3-hydroxy-2,2-dimethyl-4-(2-oxo-1-piperidyl)chromane-6-carboxylate CAS Name: (3S)-3-hydroxy-2,2-dimethyl-4-(2-oxo-1-piperidinyl)-3,4-dihydro-2H-1-benzopyran-6-carboxylic acid methyl ester IUPAC Name: methyl (3S)-3-hydroxy-2,2-dimethyl-4-(2-oxopiperidin-1-yl)-3,4-dihydrochromene-6-carboxylate Traditional Name: (3S)-3-hydroxy-4-(2-ketopiperidino)-2,2-dimethyl-chroman-6-carboxylic acid methyl ester Formula: C18H23NO5 MolecularWeight: 333.37892

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)C(=O)OC)N3CCCCC3=O)O)C

Isomeric SMILES

CC1([C@H](C(C2=C(O1)C=CC(=C2)C(=O)OC)N3CCCCC3=O)O)C

InChI

InChI=1S/C18H23NO5/c1-18(2)16(21)15(19-9-5-4-6-14(19)20)12-10-11(17(22)23-3)7-8-13(12)24-18/h7-8,10,15-16,21H,4-6,9H2,1-3H3/t15?,16-/m0/s1