(7-bromanyl-2-oxidanylidene-chromen-4-yl)methyl 3-(1H-indol-3-yl)propanoate

Systemtic Name: (7-bromanyl-2-oxidanylidene-chromen-4-yl)methyl 3-(1H-indol-3-yl)propanoate Openeye Name: (7-bromo-2-oxo-chromen-4-yl)methyl 3-(1H-indol-3-yl)propanoate CAS Name: 3-(1H-indol-3-yl)propanoic acid (7-bromo-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-bromo-2-oxochromen-4-yl)methyl 3-(1H-indol-3-yl)propanoate Traditional Name: 3-(1H-indol-3-yl)propionic acid (7-bromo-2-keto-chromen-4-yl)methyl ester Formula: C21H16BrNO4 MolecularWeight: 426.26004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CCC(=O)OCC3=CC(=O)OC4=C3C=CC(=C4)Br

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)CCC(=O)OCC3=CC(=O)OC4=C3C=CC(=C4)Br

InChI

InChI=1S/C21H16BrNO4/c22-15-6-7-17-14(9-21(25)27-19(17)10-15)12-26-20(24)8-5-13-11-23-18-4-2-1-3-16(13)18/h1-4,6-7,9-11,23H,5,8,12H2