ethyl 3-[8-[(1,3-benzodioxol-5-ylmethylamino)methyl]-4-methyl-7-oxidanyl-2-oxidanylidene-chromen-3-yl]propanoate

Systemtic Name: ethyl 3-[8-[(1,3-benzodioxol-5-ylmethylamino)methyl]-4-methyl-7-oxidanyl-2-oxidanylidene-chromen-3-yl]propanoate Openeye Name: ethyl 3-[8-[(1,3-benzodioxol-5-ylmethylamino)methyl]-7-hydroxy-4-methyl-2-oxo-chromen-3-yl]propanoate CAS Name: 3-[8-[(1,3-benzodioxol-5-ylmethylamino)methyl]-7-hydroxy-4-methyl-2-oxo-1-benzopyran-3-yl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[8-[(1,3-benzodioxol-5-ylmethylamino)methyl]-7-hydroxy-4-methyl-2-oxochromen-3-yl]propanoate Traditional Name: 3-[7-hydroxy-2-keto-4-methyl-8-[(piperonylamino)methyl]chromen-3-yl]propionic acid ethyl ester Formula: C24H25NO7 MolecularWeight: 439.4578

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1=C(C2=C(C(=C(C=C2)O)CNCC3=CC4=C(C=C3)OCO4)OC1=O)C

Isomeric SMILES

CCOC(=O)CCC1=C(C2=C(C(=C(C=C2)O)CNCC3=CC4=C(C=C3)OCO4)OC1=O)C

InChI

InChI=1S/C24H25NO7/c1-3-29-22(27)9-6-17-14(2)16-5-7-19(26)18(23(16)32-24(17)28)12-25-11-15-4-8-20-21(10-15)31-13-30-20/h4-5,7-8,10,25-26H,3,6,9,11-13H2,1-2H3