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

Systemtic Name: (3R,4S)-4-(dibutylamino)-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromene-6-carbonitrile Openeye Name: (3R,4S)-4-(dibutylamino)-3-hydroxy-2,2-dimethyl-chromane-6-carbonitrile CAS Name: (3R,4S)-4-(dibutylamino)-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-6-carbonitrile IUPAC Name: (3R,4S)-4-(dibutylamino)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromene-6-carbonitrile Traditional Name: (3R,4S)-4-(dibutylamino)-3-hydroxy-2,2-dimethyl-chroman-6-carbonitrile Formula: C20H30N2O2 MolecularWeight: 330.4644

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)C1C(C(OC2=C1C=C(C=C2)C#N)(C)C)O

Isomeric SMILES

CCCCN(CCCC)[C@@H]1[C@H](C(OC2=C1C=C(C=C2)C#N)(C)C)O

InChI

InChI=1S/C20H30N2O2/c1-5-7-11-22(12-8-6-2)18-16-13-15(14-21)9-10-17(16)24-20(3,4)19(18)23/h9-10,13,18-19,23H,5-8,11-12H2,1-4H3/t18-,19+/m0/s1