methyl 4-[[1,3-benzodioxol-5-ylmethyl-[(3-butyl-2,5-diphenyl-imidazol-4-yl)methyl]amino]methyl]-2-nitro-benzoate

Systemtic Name: methyl 4-[[1,3-benzodioxol-5-ylmethyl-[(3-butyl-2,5-diphenyl-imidazol-4-yl)methyl]amino]methyl]-2-nitro-benzoate Openeye Name: methyl 4-[[1,3-benzodioxol-5-ylmethyl-[(3-butyl-2,5-diphenyl-imidazol-4-yl)methyl]amino]methyl]-2-nitro-benzoate CAS Name: 4-[[1,3-benzodioxol-5-ylmethyl-[(3-butyl-2,5-diphenyl-4-imidazolyl)methyl]amino]methyl]-2-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-[[1,3-benzodioxol-5-ylmethyl-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]amino]methyl]-2-nitrobenzoate Traditional Name: 4-[[(3-butyl-2,5-diphenyl-imidazol-4-yl)methyl-piperonyl-amino]methyl]-2-nitro-benzoic acid methyl ester Formula: C37H36N4O6 MolecularWeight: 632.70494

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(N=C1C2=CC=CC=C2)C3=CC=CC=C3)CN(CC4=CC(=C(C=C4)C(=O)OC)[N+](=O)[O-])CC5=CC6=C(C=C5)OCO6

Isomeric SMILES

CCCCN1C(=C(N=C1C2=CC=CC=C2)C3=CC=CC=C3)CN(CC4=CC(=C(C=C4)C(=O)OC)[N+](=O)[O-])CC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C37H36N4O6/c1-3-4-19-40-32(35(28-11-7-5-8-12-28)38-36(40)29-13-9-6-10-14-29)24-39(23-27-16-18-33-34(21-27)47-25-46-33)22-26-15-17-30(37(42)45-2)31(20-26)41(43)44/h5-18,20-21H,3-4,19,22-25H2,1-2H3