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

Systemtic Name: 1-(6-cyano-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl)indole-2-carboxylic acid Openeye Name: 1-(6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl)indole-2-carboxylic acid CAS Name: 1-(6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl)-2-indolecarboxylic acid IUPAC Name: 1-(6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)indole-2-carboxylic acid Traditional Name: 1-(6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl)indole-2-carboxylic acid Formula: C21H18N2O4 MolecularWeight: 362.37862

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)O)C

Isomeric SMILES

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

InChI

InChI=1S/C21H18N2O4/c1-21(2)19(24)18(14-9-12(11-22)7-8-17(14)27-21)23-15-6-4-3-5-13(15)10-16(23)20(25)26/h3-10,18-19,24H,1-2H3,(H,25,26)