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

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

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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)O)C

Isomeric SMILES

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

InChI

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