4-[2-[[4-oxidanylidene-7-(quinolin-2-ylmethoxy)chromen-2-yl]carbonylamino]ethyl]benzoic acid

Systemtic Name: 4-[2-[[4-oxidanylidene-7-(quinolin-2-ylmethoxy)chromen-2-yl]carbonylamino]ethyl]benzoic acid Openeye Name: 4-[2-[[4-oxo-7-(2-quinolylmethoxy)chromene-2-carbonyl]amino]ethyl]benzoic acid CAS Name: 4-[2-[[oxo-[4-oxo-7-(2-quinolinylmethoxy)-1-benzopyran-2-yl]methyl]amino]ethyl]benzoic acid IUPAC Name: 4-[2-[[4-oxo-7-(quinolin-2-ylmethoxy)chromene-2-carbonyl]amino]ethyl]benzoic acid Traditional Name: 4-[2-[[4-keto-7-(2-quinolylmethoxy)chromene-2-carbonyl]amino]ethyl]benzoic acid Formula: C29H22N2O6 MolecularWeight: 494.49478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=N2)COC3=CC4=C(C=C3)C(=O)C=C(O4)C(=O)NCCC5=CC=C(C=C5)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=N2)COC3=CC4=C(C=C3)C(=O)C=C(O4)C(=O)NCCC5=CC=C(C=C5)C(=O)O

InChI

InChI=1S/C29H22N2O6/c32-25-16-27(28(33)30-14-13-18-5-7-20(8-6-18)29(34)35)37-26-15-22(11-12-23(25)26)36-17-21-10-9-19-3-1-2-4-24(19)31-21/h1-12,15-16H,13-14,17H2,(H,30,33)(H,34,35)