(3S)-2,2-dimethyl-3-oxidanyl-4-(2-oxidanylidenepyrrolidin-1-yl)-3,4-dihydrochromene-6-carbaldehyde

Systemtic Name: (3S)-2,2-dimethyl-3-oxidanyl-4-(2-oxidanylidenepyrrolidin-1-yl)-3,4-dihydrochromene-6-carbaldehyde Openeye Name: (3S)-3-hydroxy-2,2-dimethyl-4-(2-oxopyrrolidin-1-yl)chromane-6-carbaldehyde CAS Name: (3S)-3-hydroxy-2,2-dimethyl-4-(2-oxo-1-pyrrolidinyl)-3,4-dihydro-2H-1-benzopyran-6-carboxaldehyde IUPAC Name: (3S)-3-hydroxy-2,2-dimethyl-4-(2-oxopyrrolidin-1-yl)-3,4-dihydrochromene-6-carbaldehyde Traditional Name: (3S)-3-hydroxy-4-(2-ketopyrrolidino)-2,2-dimethyl-chroman-6-carbaldehyde Formula: C16H19NO4 MolecularWeight: 289.32636

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)C=O)N3CCCC3=O)O)C

Isomeric SMILES

CC1([C@H](C(C2=C(O1)C=CC(=C2)C=O)N3CCCC3=O)O)C

InChI

InChI=1S/C16H19NO4/c1-16(2)15(20)14(17-7-3-4-13(17)19)11-8-10(9-18)5-6-12(11)21-16/h5-6,8-9,14-15,20H,3-4,7H2,1-2H3/t14?,15-/m0/s1