ethyl 3-[8-[[(3,4-dimethoxyphenyl)methylamino]methyl]-4-methyl-7-oxidanyl-2-oxidanylidene-chromen-3-yl]propanoate

Systemtic Name: ethyl 3-[8-[[(3,4-dimethoxyphenyl)methylamino]methyl]-4-methyl-7-oxidanyl-2-oxidanylidene-chromen-3-yl]propanoate Openeye Name: ethyl 3-[8-[[(3,4-dimethoxyphenyl)methylamino]methyl]-7-hydroxy-4-methyl-2-oxo-chromen-3-yl]propanoate CAS Name: 3-[8-[[(3,4-dimethoxyphenyl)methylamino]methyl]-7-hydroxy-4-methyl-2-oxo-1-benzopyran-3-yl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[8-[[(3,4-dimethoxyphenyl)methylamino]methyl]-7-hydroxy-4-methyl-2-oxochromen-3-yl]propanoate Traditional Name: 3-[7-hydroxy-2-keto-4-methyl-8-[(veratrylamino)methyl]chromen-3-yl]propionic acid ethyl ester Formula: C25H29NO7 MolecularWeight: 455.50026

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1=C(C2=C(C(=C(C=C2)O)CNCC3=CC(=C(C=C3)OC)OC)OC1=O)C

Isomeric SMILES

CCOC(=O)CCC1=C(C2=C(C(=C(C=C2)O)CNCC3=CC(=C(C=C3)OC)OC)OC1=O)C

InChI

InChI=1S/C25H29NO7/c1-5-32-23(28)11-8-18-15(2)17-7-9-20(27)19(24(17)33-25(18)29)14-26-13-16-6-10-21(30-3)22(12-16)31-4/h6-7,9-10,12,26-27H,5,8,11,13-14H2,1-4H3