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

Systemtic Name: methyl (3R,4S)-2,2-dimethyl-3-oxidanyl-4-pyrrolidin-1-yl-3,4-dihydrochromene-6-carboxylate Openeye Name: methyl (3R,4S)-3-hydroxy-2,2-dimethyl-4-pyrrolidin-1-yl-chromane-6-carboxylate CAS Name: (3R,4S)-3-hydroxy-2,2-dimethyl-4-(1-pyrrolidinyl)-3,4-dihydro-2H-1-benzopyran-6-carboxylic acid methyl ester IUPAC Name: methyl (3R,4S)-3-hydroxy-2,2-dimethyl-4-pyrrolidin-1-yl-3,4-dihydrochromene-6-carboxylate Traditional Name: (3R,4S)-3-hydroxy-2,2-dimethyl-4-pyrrolidino-chroman-6-carboxylic acid methyl ester Formula: C17H23NO4 MolecularWeight: 305.36882

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23NO4/c1-17(2)15(19)14(18-8-4-5-9-18)12-10-11(16(20)21-3)6-7-13(12)22-17/h6-7,10,14-15,19H,4-5,8-9H2,1-3H3/t14-,15+/m0/s1