4-[[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methylamino]methylidene]cyclohexa-2,5-dien-1-one

Systemtic Name: 4-[[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methylamino]methylidene]cyclohexa-2,5-dien-1-one Openeye Name: 4-[[[4-(3,4-dimethoxyphenyl)tetrahydropyran-4-yl]methylamino]methylene]cyclohexa-2,5-dien-1-one CAS Name: 4-[[[4-(3,4-dimethoxyphenyl)-4-oxanyl]methylamino]methylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 4-[[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methylamino]methylidene]cyclohexa-2,5-dien-1-one Traditional Name: 4-[[[4-(3,4-dimethoxyphenyl)tetrahydropyran-4-yl]methylamino]methylene]cyclohexa-2,5-dien-1-one Formula: C21H25NO4 MolecularWeight: 355.4275

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2(CCOCC2)CNC=C3C=CC(=O)C=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2(CCOCC2)CNC=C3C=CC(=O)C=C3)OC

InChI

InChI=1S/C21H25NO4/c1-24-19-8-5-17(13-20(19)25-2)21(9-11-26-12-10-21)15-22-14-16-3-6-18(23)7-4-16/h3-8,13-14,22H,9-12,15H2,1-2H3