(3S,4R)-2,2-dimethyl-3-oxidanyl-4-pyrrolidin-1-yl-3,4-dihydrochromene-6-carboxylic acid

Systemtic Name: (3S,4R)-2,2-dimethyl-3-oxidanyl-4-pyrrolidin-1-yl-3,4-dihydrochromene-6-carboxylic acid Openeye Name: (3S,4R)-3-hydroxy-2,2-dimethyl-4-pyrrolidin-1-yl-chromane-6-carboxylic acid CAS Name: (3S,4R)-3-hydroxy-2,2-dimethyl-4-(1-pyrrolidinyl)-3,4-dihydro-2H-1-benzopyran-6-carboxylic acid IUPAC Name: (3S,4R)-3-hydroxy-2,2-dimethyl-4-pyrrolidin-1-yl-3,4-dihydrochromene-6-carboxylic acid Traditional Name: (3S,4R)-3-hydroxy-2,2-dimethyl-4-pyrrolidino-chroman-6-carboxylic acid Formula: C16H21NO4 MolecularWeight: 291.34224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21NO4/c1-16(2)14(18)13(17-7-3-4-8-17)11-9-10(15(19)20)5-6-12(11)21-16/h5-6,9,13-14,18H,3-4,7-8H2,1-2H3,(H,19,20)/t13-,14+/m1/s1