(4S)-2,7,7-trimethyl-5-oxidanylidene-4-(4-propoxyphenyl)-3,4,6,8-tetrahydroquinoline-3-carbonitrile

Systemtic Name: (4S)-2,7,7-trimethyl-5-oxidanylidene-4-(4-propoxyphenyl)-3,4,6,8-tetrahydroquinoline-3-carbonitrile Openeye Name: (4S)-2,7,7-trimethyl-5-oxo-4-(4-propoxyphenyl)-3,4,6,8-tetrahydroquinoline-3-carbonitrile CAS Name: (4S)-2,7,7-trimethyl-5-oxo-4-(4-propoxyphenyl)-3,4,6,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: (4S)-2,7,7-trimethyl-5-oxo-4-(4-propoxyphenyl)-3,4,6,8-tetrahydroquinoline-3-carbonitrile Traditional Name: (4S)-5-keto-2,7,7-trimethyl-4-(4-propoxyphenyl)-3,4,6,8-tetrahydroquinoline-3-carbonitrile Formula: C22H26N2O2 MolecularWeight: 350.45404

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C2C(C(=NC3=C2C(=O)CC(C3)(C)C)C)C#N

Isomeric SMILES

CCCOC1=CC=C(C=C1)[C@@H]2C(C(=NC3=C2C(=O)CC(C3)(C)C)C)C#N

InChI

InChI=1S/C22H26N2O2/c1-5-10-26-16-8-6-15(7-9-16)20-17(13-23)14(2)24-18-11-22(3,4)12-19(25)21(18)20/h6-9,17,20H,5,10-12H2,1-4H3/t17?,20-/m1/s1