2,7,7-trimethyl-5-oxidanylidene-4-(phenylmethoxymethyl)-1,4,6,8-tetrahydroquinoline-3-carbonitrile

Systemtic Name: 2,7,7-trimethyl-5-oxidanylidene-4-(phenylmethoxymethyl)-1,4,6,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 4-(benzyloxymethyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2,7,7-trimethyl-5-oxo-4-(phenylmethoxymethyl)-1,4,6,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2,7,7-trimethyl-5-oxo-4-(phenylmethoxymethyl)-1,4,6,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 4-(benzoxymethyl)-5-keto-2,7,7-trimethyl-1,4,6,8-tetrahydroquinoline-3-carbonitrile Formula: C21H24N2O2 MolecularWeight: 336.42746

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)COCC3=CC=CC=C3)C#N

Isomeric SMILES

CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)COCC3=CC=CC=C3)C#N

InChI

InChI=1S/C21H24N2O2/c1-14-16(11-22)17(13-25-12-15-7-5-4-6-8-15)20-18(23-14)9-21(2,3)10-19(20)24/h4-8,17,23H,9-10,12-13H2,1-3H3