4-[(1R,2S)-1-[(4-methoxyphenyl)amino]-2-oxidanyl-3-oxidanylidene-butyl]benzenecarbonitrile

Systemtic Name: 4-[(1R,2S)-1-[(4-methoxyphenyl)amino]-2-oxidanyl-3-oxidanylidene-butyl]benzenecarbonitrile Openeye Name: 4-[(1R,2S)-2-hydroxy-1-(4-methoxyanilino)-3-oxo-butyl]benzonitrile CAS Name: 4-[(1R,2S)-2-hydroxy-1-(4-methoxyanilino)-3-oxobutyl]benzonitrile IUPAC Name: 4-[(1R,2S)-2-hydroxy-1-(4-methoxyanilino)-3-oxobutyl]benzonitrile Traditional Name: 4-[(1R,2S)-2-hydroxy-3-keto-1-(p-anisidino)butyl]benzonitrile Formula: C18H18N2O3 MolecularWeight: 310.34712

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C(C1=CC=C(C=C1)C#N)NC2=CC=C(C=C2)OC)O

Isomeric SMILES

CC(=O)[C@H]([C@@H](C1=CC=C(C=C1)C#N)NC2=CC=C(C=C2)OC)O

InChI

InChI=1S/C18H18N2O3/c1-12(21)18(22)17(14-5-3-13(11-19)4-6-14)20-15-7-9-16(23-2)10-8-15/h3-10,17-18,20,22H,1-2H3/t17-,18-/m1/s1