[3-(butylcarbamoyl)-2-oxidanylidene-chromen-7-yl] (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate

Systemtic Name: [3-(butylcarbamoyl)-2-oxidanylidene-chromen-7-yl] (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate Openeye Name: [3-(butylcarbamoyl)-2-oxo-chromen-7-yl] (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate CAS Name: (E)-3-(3,4-dimethoxyphenyl)-2-propenoic acid [3-[butylamino(oxo)methyl]-2-oxo-1-benzopyran-7-yl] ester IUPAC Name: [3-(butylcarbamoyl)-2-oxochromen-7-yl] (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(3,4-dimethoxyphenyl)acrylic acid [3-(butylcarbamoyl)-2-keto-chromen-7-yl] ester Formula: C25H25NO7 MolecularWeight: 451.4685

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=CC2=C(C=C(C=C2)OC(=O)C=CC3=CC(=C(C=C3)OC)OC)OC1=O

Isomeric SMILES

CCCCNC(=O)C1=CC2=C(C=C(C=C2)OC(=O)/C=C/C3=CC(=C(C=C3)OC)OC)OC1=O

InChI

InChI=1S/C25H25NO7/c1-4-5-12-26-24(28)19-14-17-8-9-18(15-21(17)33-25(19)29)32-23(27)11-7-16-6-10-20(30-2)22(13-16)31-3/h6-11,13-15H,4-5,12H2,1-3H3,(H,26,28)/b11-7+