1-(6-cyano-2,2-dimethyl-chromen-4-yl)indole-3-carboxylic acid

Systemtic Name: 1-(6-cyano-2,2-dimethyl-chromen-4-yl)indole-3-carboxylic acid Openeye Name: 1-(6-cyano-2,2-dimethyl-chromen-4-yl)indole-3-carboxylic acid CAS Name: 1-(6-cyano-2,2-dimethyl-1-benzopyran-4-yl)-3-indolecarboxylic acid IUPAC Name: 1-(6-cyano-2,2-dimethylchromen-4-yl)indole-3-carboxylic acid Traditional Name: 1-(6-cyano-2,2-dimethyl-chromen-4-yl)indole-3-carboxylic acid Formula: C21H16N2O3 MolecularWeight: 344.36334

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C=C(C2=C(O1)C=CC(=C2)C#N)N3C=C(C4=CC=CC=C43)C(=O)O)C

Isomeric SMILES

CC1(C=C(C2=C(O1)C=CC(=C2)C#N)N3C=C(C4=CC=CC=C43)C(=O)O)C

InChI

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