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

Systemtic Name: (4S)-4-(3-methoxy-4-oxidanyl-phenyl)-2-methyl-5-oxidanylidene-4,6,7,8-tetrahydro-3H-quinoline-3-carbonitrile Openeye Name: (4S)-4-(4-hydroxy-3-methoxy-phenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carbonitrile CAS Name: (4S)-4-(4-hydroxy-3-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carbonitrile IUPAC Name: (4S)-4-(4-hydroxy-3-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carbonitrile Traditional Name: (4S)-4-(4-hydroxy-3-methoxy-phenyl)-5-keto-2-methyl-4,6,7,8-tetrahydro-3H-quinoline-3-carbonitrile Formula: C18H18N2O3 MolecularWeight: 310.34712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O3/c1-10-12(9-19)17(11-6-7-14(21)16(8-11)23-2)18-13(20-10)4-3-5-15(18)22/h6-8,12,17,21H,3-5H2,1-2H3/t12?,17-/m1/s1