3-[(4-dimethylaminophenyl)-ethoxy-methyl]-2-oxidanyl-6-propan-2-yl-cyclohepta-2,4,6-trien-1-one

Systemtic Name: 3-[(4-dimethylaminophenyl)-ethoxy-methyl]-2-oxidanyl-6-propan-2-yl-cyclohepta-2,4,6-trien-1-one Openeye Name: 3-[(4-dimethylaminophenyl)-ethoxy-methyl]-2-hydroxy-6-isopropyl-cyclohepta-2,4,6-trien-1-one CAS Name: 3-[(4-dimethylaminophenyl)-ethoxymethyl]-2-hydroxy-6-propan-2-yl-1-cyclohepta-2,4,6-trienone IUPAC Name: 3-[(4-dimethylaminophenyl)-ethoxymethyl]-2-hydroxy-6-propan-2-ylcyclohepta-2,4,6-trien-1-one Traditional Name: 3-[(4-dimethylaminophenyl)-ethoxy-methyl]-2-hydroxy-6-isopropyl-cyclohepta-2,4,6-trien-1-one Formula: C21H27NO3 MolecularWeight: 341.44398

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(C1=CC=C(C=C1)N(C)C)C2=C(C(=O)C=C(C=C2)C(C)C)O

Isomeric SMILES

CCOC(C1=CC=C(C=C1)N(C)C)C2=C(C(=O)C=C(C=C2)C(C)C)O

InChI

InChI=1S/C21H27NO3/c1-6-25-21(15-7-10-17(11-8-15)22(4)5)18-12-9-16(14(2)3)13-19(23)20(18)24/h7-14,21H,6H2,1-5H3,(H,23,24)