2,2-dimethoxy-1-phenyl-ethanone; 6-(dimethylamino)-6-ethyl-cyclohexa-2,4-diene-1-carboxylate

Systemtic Name: 2,2-dimethoxy-1-phenyl-ethanone; 6-(dimethylamino)-6-ethyl-cyclohexa-2,4-diene-1-carboxylate Openeye Name: 2,2-dimethoxy-1-phenyl-ethanone; 6-(dimethylamino)-6-ethyl-cyclohexa-2,4-diene-1-carboxylate CAS Name: 2,2-dimethoxy-1-phenylethanone; 6-(dimethylamino)-6-ethyl-1-cyclohexa-2,4-dienecarboxylate IUPAC Name: 2,2-dimethoxy-1-phenylethanone; 6-(dimethylamino)-6-ethylcyclohexa-2,4-diene-1-carboxylate Traditional Name: 2,2-dimethoxy-1-phenyl-ethanone; 6-(dimethylamino)-6-ethyl-cyclohexa-2,4-diene-1-carboxylate Formula: C21H28NO5- MolecularWeight: 374.45072

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C=CC=CC1C(=O)[O-])N(C)C.COC(C(=O)C1=CC=CC=C1)OC

Isomeric SMILES

CCC1(C=CC=CC1C(=O)[O-])N(C)C.COC(C(=O)C1=CC=CC=C1)OC

InChI

InChI=1S/C11H17NO2.C10H12O3/c1-4-11(12(2)3)8-6-5-7-9(11)10(13)14;1-12-10(13-2)9(11)8-6-4-3-5-7-8/h5-9H,4H2,1-3H3,(H,13,14);3-7,10H,1-2H3/p-1