dimethyl 2-[6-(2-imidazol-1-yl-3-methyl-indol-1-yl)hexyl]propanedioate

Systemtic Name: dimethyl 2-[6-(2-imidazol-1-yl-3-methyl-indol-1-yl)hexyl]propanedioate Openeye Name: dimethyl 2-[6-(2-imidazol-1-yl-3-methyl-indol-1-yl)hexyl]propanedioate CAS Name: 2-[6-[2-(1-imidazolyl)-3-methyl-1-indolyl]hexyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[6-(2-imidazol-1-yl-3-methylindol-1-yl)hexyl]propanedioate Traditional Name: 2-[6-(2-imidazol-1-yl-3-methyl-indol-1-yl)hexyl]malonic acid dimethyl ester Formula: C23H29N3O4 MolecularWeight: 411.49406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C2=CC=CC=C12)CCCCCCC(C(=O)OC)C(=O)OC)N3C=CN=C3

Isomeric SMILES

CC1=C(N(C2=CC=CC=C12)CCCCCCC(C(=O)OC)C(=O)OC)N3C=CN=C3

InChI

InChI=1S/C23H29N3O4/c1-17-18-10-7-8-12-20(18)26(21(17)25-15-13-24-16-25)14-9-5-4-6-11-19(22(27)29-2)23(28)30-3/h7-8,10,12-13,15-16,19H,4-6,9,11,14H2,1-3H3