4-[[(3S)-2,2-dimethyl-3-oxidanyl-4-(2-oxidanylidenepyrrolidin-1-yl)-3,4-dihydrochromen-6-yl]iminomethyl]benzenecarbonitrile

Systemtic Name: 4-[[(3S)-2,2-dimethyl-3-oxidanyl-4-(2-oxidanylidenepyrrolidin-1-yl)-3,4-dihydrochromen-6-yl]iminomethyl]benzenecarbonitrile Openeye Name: 4-[[(3S)-3-hydroxy-2,2-dimethyl-4-(2-oxopyrrolidin-1-yl)chroman-6-yl]iminomethyl]benzonitrile CAS Name: 4-[[(3S)-3-hydroxy-2,2-dimethyl-4-(2-oxo-1-pyrrolidinyl)-3,4-dihydro-2H-1-benzopyran-6-yl]iminomethyl]benzonitrile IUPAC Name: 4-[[(3S)-3-hydroxy-2,2-dimethyl-4-(2-oxopyrrolidin-1-yl)-3,4-dihydrochromen-6-yl]iminomethyl]benzonitrile Traditional Name: 4-[[(3S)-3-hydroxy-4-(2-ketopyrrolidino)-2,2-dimethyl-chroman-6-yl]iminomethyl]benzonitrile Formula: C23H23N3O3 MolecularWeight: 389.44702

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)N=CC3=CC=C(C=C3)C#N)N4CCCC4=O)O)C

Isomeric SMILES

CC1([C@H](C(C2=C(O1)C=CC(=C2)N=CC3=CC=C(C=C3)C#N)N4CCCC4=O)O)C

InChI

InChI=1S/C23H23N3O3/c1-23(2)22(28)21(26-11-3-4-20(26)27)18-12-17(9-10-19(18)29-23)25-14-16-7-5-15(13-24)6-8-16/h5-10,12,14,21-22,28H,3-4,11H2,1-2H3/t21?,22-/m0/s1