4-[2-(2-imidazol-1-yl-3-methyl-indol-1-yl)ethoxy]benzoic acid

Systemtic Name: 4-[2-(2-imidazol-1-yl-3-methyl-indol-1-yl)ethoxy]benzoic acid Openeye Name: 4-[2-(2-imidazol-1-yl-3-methyl-indol-1-yl)ethoxy]benzoic acid CAS Name: 4-[2-[2-(1-imidazolyl)-3-methyl-1-indolyl]ethoxy]benzoic acid IUPAC Name: 4-[2-(2-imidazol-1-yl-3-methylindol-1-yl)ethoxy]benzoic acid Traditional Name: 4-[2-(2-imidazol-1-yl-3-methyl-indol-1-yl)ethoxy]benzoic acid Formula: C21H19N3O3 MolecularWeight: 361.39386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C2=CC=CC=C12)CCOC3=CC=C(C=C3)C(=O)O)N4C=CN=C4

Isomeric SMILES

CC1=C(N(C2=CC=CC=C12)CCOC3=CC=C(C=C3)C(=O)O)N4C=CN=C4

InChI

InChI=1S/C21H19N3O3/c1-15-18-4-2-3-5-19(18)24(20(15)23-11-10-22-14-23)12-13-27-17-8-6-16(7-9-17)21(25)26/h2-11,14H,12-13H2,1H3,(H,25,26)