1-(6-cyano-2,2-dimethyl-chromen-4-yl)indole-2-carboxylic acid

Systemtic Name: 1-(6-cyano-2,2-dimethyl-chromen-4-yl)indole-2-carboxylic acid Openeye Name: 1-(6-cyano-2,2-dimethyl-chromen-4-yl)indole-2-carboxylic acid CAS Name: 1-(6-cyano-2,2-dimethyl-1-benzopyran-4-yl)-2-indolecarboxylic acid IUPAC Name: 1-(6-cyano-2,2-dimethylchromen-4-yl)indole-2-carboxylic acid Traditional Name: 1-(6-cyano-2,2-dimethyl-chromen-4-yl)indole-2-carboxylic acid Formula: C21H16N2O3 MolecularWeight: 344.36334

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C=C(C2=C(O1)C=CC(=C2)C#N)N3C4=CC=CC=C4C=C3C(=O)O)C

Isomeric SMILES

CC1(C=C(C2=C(O1)C=CC(=C2)C#N)N3C4=CC=CC=C4C=C3C(=O)O)C

InChI

InChI=1S/C21H16N2O3/c1-21(2)11-18(15-9-13(12-22)7-8-19(15)26-21)23-16-6-4-3-5-14(16)10-17(23)20(24)25/h3-11H,1-2H3,(H,24,25)