tert-butyl 2-(dimethylamino)-5-(2-indol-1-ylethanoylamino)-3-phenyl-imidazole-4-carboxylate

Systemtic Name: tert-butyl 2-(dimethylamino)-5-(2-indol-1-ylethanoylamino)-3-phenyl-imidazole-4-carboxylate Openeye Name: tert-butyl 2-(dimethylamino)-5-[(2-indol-1-ylacetyl)amino]-3-phenyl-imidazole-4-carboxylate CAS Name: 2-(dimethylamino)-5-[[2-(1-indolyl)-1-oxoethyl]amino]-3-phenyl-4-imidazolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-(dimethylamino)-5-[(2-indol-1-ylacetyl)amino]-3-phenylimidazole-4-carboxylate Traditional Name: 2-(dimethylamino)-5-[(2-indol-1-ylacetyl)amino]-3-phenyl-imidazole-4-carboxylic acid tert-butyl ester Formula: C26H29N5O3 MolecularWeight: 459.54016

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=C(N=C(N1C2=CC=CC=C2)N(C)C)NC(=O)CN3C=CC4=CC=CC=C43

Isomeric SMILES

CC(C)(C)OC(=O)C1=C(N=C(N1C2=CC=CC=C2)N(C)C)NC(=O)CN3C=CC4=CC=CC=C43

InChI

InChI=1S/C26H29N5O3/c1-26(2,3)34-24(33)22-23(28-25(29(4)5)31(22)19-12-7-6-8-13-19)27-21(32)17-30-16-15-18-11-9-10-14-20(18)30/h6-16H,17H2,1-5H3,(H,27,32)