2-[2-(5-methoxy-4,7-dimethyl-2-oxidanylidene-chromen-3-yl)ethanoylamino]-3-(5-oxidanyl-1H-indol-3-yl)propanoic acid

Systemtic Name: 2-[2-(5-methoxy-4,7-dimethyl-2-oxidanylidene-chromen-3-yl)ethanoylamino]-3-(5-oxidanyl-1H-indol-3-yl)propanoic acid Openeye Name: 3-(5-hydroxy-1H-indol-3-yl)-2-[[2-(5-methoxy-4,7-dimethyl-2-oxo-chromen-3-yl)acetyl]amino]propanoic acid CAS Name: 3-(5-hydroxy-1H-indol-3-yl)-2-[[2-(5-methoxy-4,7-dimethyl-2-oxo-1-benzopyran-3-yl)-1-oxoethyl]amino]propanoic acid IUPAC Name: 3-(5-hydroxy-1H-indol-3-yl)-2-[[2-(5-methoxy-4,7-dimethyl-2-oxochromen-3-yl)acetyl]amino]propanoic acid Traditional Name: 3-(5-hydroxy-1H-indol-3-yl)-2-[[2-(2-keto-5-methoxy-4,7-dimethyl-chromen-3-yl)acetyl]amino]propionic acid Formula: C25H24N2O7 MolecularWeight: 464.46726

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=C(C(=O)O2)CC(=O)NC(CC3=CNC4=C3C=C(C=C4)O)C(=O)O)C)C(=C1)OC

Isomeric SMILES

CC1=CC2=C(C(=C(C(=O)O2)CC(=O)NC(CC3=CNC4=C3C=C(C=C4)O)C(=O)O)C)C(=C1)OC

InChI

InChI=1S/C25H24N2O7/c1-12-6-20(33-3)23-13(2)16(25(32)34-21(23)7-12)10-22(29)27-19(24(30)31)8-14-11-26-18-5-4-15(28)9-17(14)18/h4-7,9,11,19,26,28H,8,10H2,1-3H3,(H,27,29)(H,30,31)