propan-2-yl 5-[[bis(1,3-benzodioxol-5-ylmethyl)amino]methyl]-1-butyl-2-phenyl-imidazole-4-carboxylate

Systemtic Name: propan-2-yl 5-[[bis(1,3-benzodioxol-5-ylmethyl)amino]methyl]-1-butyl-2-phenyl-imidazole-4-carboxylate Openeye Name: isopropyl 5-[[bis(1,3-benzodioxol-5-ylmethyl)amino]methyl]-1-butyl-2-phenyl-imidazole-4-carboxylate CAS Name: 5-[[bis(1,3-benzodioxol-5-ylmethyl)amino]methyl]-1-butyl-2-phenyl-4-imidazolecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 5-[[bis(1,3-benzodioxol-5-ylmethyl)amino]methyl]-1-butyl-2-phenylimidazole-4-carboxylate Traditional Name: 1-butyl-5-[(dipiperonylamino)methyl]-2-phenyl-imidazole-4-carboxylic acid isopropyl ester Formula: C34H37N3O6 MolecularWeight: 583.67408

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(N=C1C2=CC=CC=C2)C(=O)OC(C)C)CN(CC3=CC4=C(C=C3)OCO4)CC5=CC6=C(C=C5)OCO6

Isomeric SMILES

CCCCN1C(=C(N=C1C2=CC=CC=C2)C(=O)OC(C)C)CN(CC3=CC4=C(C=C3)OCO4)CC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C34H37N3O6/c1-4-5-15-37-27(32(34(38)43-23(2)3)35-33(37)26-9-7-6-8-10-26)20-36(18-24-11-13-28-30(16-24)41-21-39-28)19-25-12-14-29-31(17-25)42-22-40-29/h6-14,16-17,23H,4-5,15,18-22H2,1-3H3