(3S,4R)-8-methoxy-2,2-dimethyl-3-oxidanyl-4-pyrrolidin-1-yl-3,4-dihydrochromene-6-carbonitrile

Systemtic Name: (3S,4R)-8-methoxy-2,2-dimethyl-3-oxidanyl-4-pyrrolidin-1-yl-3,4-dihydrochromene-6-carbonitrile Openeye Name: (3S,4R)-3-hydroxy-8-methoxy-2,2-dimethyl-4-pyrrolidin-1-yl-chromane-6-carbonitrile CAS Name: (3S,4R)-3-hydroxy-8-methoxy-2,2-dimethyl-4-(1-pyrrolidinyl)-3,4-dihydro-2H-1-benzopyran-6-carbonitrile IUPAC Name: (3S,4R)-3-hydroxy-8-methoxy-2,2-dimethyl-4-pyrrolidin-1-yl-3,4-dihydrochromene-6-carbonitrile Traditional Name: (3S,4R)-3-hydroxy-8-methoxy-2,2-dimethyl-4-pyrrolidino-chroman-6-carbonitrile Formula: C17H22N2O3 MolecularWeight: 302.36818

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N2O3/c1-17(2)16(20)14(19-6-4-5-7-19)12-8-11(10-18)9-13(21-3)15(12)22-17/h8-9,14,16,20H,4-7H2,1-3H3/t14-,16+/m1/s1