4-[[2-(3,4-dimethoxyphenyl)ethylamino]methyl]-7-ethyl-chromen-2-one

Systemtic Name: 4-[[2-(3,4-dimethoxyphenyl)ethylamino]methyl]-7-ethyl-chromen-2-one Openeye Name: 4-[[2-(3,4-dimethoxyphenyl)ethylamino]methyl]-7-ethyl-chromen-2-one CAS Name: 4-[[2-(3,4-dimethoxyphenyl)ethylamino]methyl]-7-ethyl-1-benzopyran-2-one IUPAC Name: 4-[[2-(3,4-dimethoxyphenyl)ethylamino]methyl]-7-ethylchromen-2-one Traditional Name: 7-ethyl-4-[(homoveratrylamino)methyl]coumarin Formula: C22H25NO4 MolecularWeight: 367.4382

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CNCCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CNCCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C22H25NO4/c1-4-15-5-7-18-17(13-22(24)27-20(18)11-15)14-23-10-9-16-6-8-19(25-2)21(12-16)26-3/h5-8,11-13,23H,4,9-10,14H2,1-3H3