4-(1,3-benzodioxol-5-yl)-1-[(2,5-dimethoxyphenyl)methyl]-6-ethyl-2-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 4-(1,3-benzodioxol-5-yl)-1-[(2,5-dimethoxyphenyl)methyl]-6-ethyl-2-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 4-(1,3-benzodioxol-5-yl)-1-[(2,5-dimethoxyphenyl)methyl]-6-ethyl-2-oxo-quinoline-3-carboxylic acid CAS Name: 4-(1,3-benzodioxol-5-yl)-1-[(2,5-dimethoxyphenyl)methyl]-6-ethyl-2-oxo-3-quinolinecarboxylic acid IUPAC Name: 4-(1,3-benzodioxol-5-yl)-1-[(2,5-dimethoxyphenyl)methyl]-6-ethyl-2-oxoquinoline-3-carboxylic acid Traditional Name: 4-(1,3-benzodioxol-5-yl)-1-(2,5-dimethoxybenzyl)-6-ethyl-2-keto-quinoline-3-carboxylic acid Formula: C28H25NO7 MolecularWeight: 487.5006

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N(C(=O)C(=C2C3=CC4=C(C=C3)OCO4)C(=O)O)CC5=C(C=CC(=C5)OC)OC

Isomeric SMILES

CCC1=CC2=C(C=C1)N(C(=O)C(=C2C3=CC4=C(C=C3)OCO4)C(=O)O)CC5=C(C=CC(=C5)OC)OC

InChI

InChI=1S/C28H25NO7/c1-4-16-5-8-21-20(11-16)25(17-6-9-23-24(13-17)36-15-35-23)26(28(31)32)27(30)29(21)14-18-12-19(33-2)7-10-22(18)34-3/h5-13H,4,14-15H2,1-3H3,(H,31,32)