(3R,4S)-4-(4,4-diethoxybutylamino)-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromene-6-carbonitrile

Systemtic Name: (3R,4S)-4-(4,4-diethoxybutylamino)-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromene-6-carbonitrile Openeye Name: (3R,4S)-4-(4,4-diethoxybutylamino)-3-hydroxy-2,2-dimethyl-chromane-6-carbonitrile CAS Name: (3R,4S)-4-(4,4-diethoxybutylamino)-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-6-carbonitrile IUPAC Name: (3R,4S)-4-(4,4-diethoxybutylamino)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromene-6-carbonitrile Traditional Name: (3R,4S)-4-(4,4-diethoxybutylamino)-3-hydroxy-2,2-dimethyl-chroman-6-carbonitrile Formula: C20H30N2O4 MolecularWeight: 362.4632

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CCCNC1C(C(OC2=C1C=C(C=C2)C#N)(C)C)O)OCC

Isomeric SMILES

CCOC(CCCN[C@@H]1[C@H](C(OC2=C1C=C(C=C2)C#N)(C)C)O)OCC

InChI

InChI=1S/C20H30N2O4/c1-5-24-17(25-6-2)8-7-11-22-18-15-12-14(13-21)9-10-16(15)26-20(3,4)19(18)23/h9-10,12,17-19,22-23H,5-8,11H2,1-4H3/t18-,19+/m0/s1