(4S)-4-(3-chloranyl-5-methoxy-4-oxidanyl-phenyl)-2-methyl-5-oxidanylidene-4,6,7,8-tetrahydro-3H-quinoline-3-carbonitrile

Systemtic Name: (4S)-4-(3-chloranyl-5-methoxy-4-oxidanyl-phenyl)-2-methyl-5-oxidanylidene-4,6,7,8-tetrahydro-3H-quinoline-3-carbonitrile Openeye Name: (4S)-4-(3-chloro-4-hydroxy-5-methoxy-phenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carbonitrile CAS Name: (4S)-4-(3-chloro-4-hydroxy-5-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carbonitrile IUPAC Name: (4S)-4-(3-chloro-4-hydroxy-5-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carbonitrile Traditional Name: (4S)-4-(3-chloro-4-hydroxy-5-methoxy-phenyl)-5-keto-2-methyl-4,6,7,8-tetrahydro-3H-quinoline-3-carbonitrile Formula: C18H17ClN2O3 MolecularWeight: 344.79218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(C1C#N)C3=CC(=C(C(=C3)Cl)O)OC)C(=O)CCC2

Isomeric SMILES

CC1=NC2=C([C@@H](C1C#N)C3=CC(=C(C(=C3)Cl)O)OC)C(=O)CCC2

InChI

InChI=1S/C18H17ClN2O3/c1-9-11(8-20)16(17-13(21-9)4-3-5-14(17)22)10-6-12(19)18(23)15(7-10)24-2/h6-7,11,16,23H,3-5H2,1-2H3/t11?,16-/m1/s1