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

Systemtic Name: (3R,4S)-2,2-dimethyl-4-(2-morpholin-4-ylethylamino)-3-oxidanyl-3,4-dihydrochromene-6-carbonitrile Openeye Name: (3R,4S)-3-hydroxy-2,2-dimethyl-4-(2-morpholinoethylamino)chromane-6-carbonitrile CAS Name: (3R,4S)-3-hydroxy-2,2-dimethyl-4-[2-(4-morpholinyl)ethylamino]-3,4-dihydro-2H-1-benzopyran-6-carbonitrile IUPAC Name: (3R,4S)-3-hydroxy-2,2-dimethyl-4-(2-morpholin-4-ylethylamino)-3,4-dihydrochromene-6-carbonitrile Traditional Name: (3R,4S)-3-hydroxy-2,2-dimethyl-4-(2-morpholinoethylamino)chroman-6-carbonitrile Formula: C18H25N3O3 MolecularWeight: 331.4094

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)NCCN3CCOCC3)O)C

Isomeric SMILES

CC1([C@@H]([C@H](C2=C(O1)C=CC(=C2)C#N)NCCN3CCOCC3)O)C

InChI

InChI=1S/C18H25N3O3/c1-18(2)17(22)16(20-5-6-21-7-9-23-10-8-21)14-11-13(12-19)3-4-15(14)24-18/h3-4,11,16-17,20,22H,5-10H2,1-2H3/t16-,17+/m0/s1