2-[[2-(5-ethyl-1H-imidazol-2-yl)-2,3-dihydroindol-1-yl]carbonyl]benzoic acid

Systemtic Name: 2-[[2-(5-ethyl-1H-imidazol-2-yl)-2,3-dihydroindol-1-yl]carbonyl]benzoic acid Openeye Name: 2-[2-(5-ethyl-1H-imidazol-2-yl)indoline-1-carbonyl]benzoic acid CAS Name: 2-[[2-(5-ethyl-1H-imidazol-2-yl)-2,3-dihydroindol-1-yl]-oxomethyl]benzoic acid IUPAC Name: 2-[2-(5-ethyl-1H-imidazol-2-yl)-2,3-dihydroindole-1-carbonyl]benzoic acid Traditional Name: 2-[2-(5-ethyl-1H-imidazol-2-yl)indoline-1-carbonyl]benzoic acid Formula: C21H19N3O3 MolecularWeight: 361.39386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CN=C(N1)C2CC3=CC=CC=C3N2C(=O)C4=CC=CC=C4C(=O)O

Isomeric SMILES

CCC1=CN=C(N1)C2CC3=CC=CC=C3N2C(=O)C4=CC=CC=C4C(=O)O

InChI

InChI=1S/C21H19N3O3/c1-2-14-12-22-19(23-14)18-11-13-7-3-6-10-17(13)24(18)20(25)15-8-4-5-9-16(15)21(26)27/h3-10,12,18H,2,11H2,1H3,(H,22,23)(H,26,27)