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

Systemtic Name: methyl 4-[[1,3-benzodioxol-5-ylmethyl-[(3-butyl-5-chloranyl-2-phenyl-imidazol-4-yl)methyl]amino]methyl]benzoate Openeye Name: methyl 4-[[1,3-benzodioxol-5-ylmethyl-[(3-butyl-5-chloro-2-phenyl-imidazol-4-yl)methyl]amino]methyl]benzoate CAS Name: 4-[[1,3-benzodioxol-5-ylmethyl-[(3-butyl-5-chloro-2-phenyl-4-imidazolyl)methyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[1,3-benzodioxol-5-ylmethyl-[(3-butyl-5-chloro-2-phenylimidazol-4-yl)methyl]amino]methyl]benzoate Traditional Name: 4-[[(3-butyl-5-chloro-2-phenyl-imidazol-4-yl)methyl-piperonyl-amino]methyl]benzoic acid methyl ester Formula: C31H32ClN3O4 MolecularWeight: 546.05648

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(N=C1C2=CC=CC=C2)Cl)CN(CC3=CC=C(C=C3)C(=O)OC)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCCCN1C(=C(N=C1C2=CC=CC=C2)Cl)CN(CC3=CC=C(C=C3)C(=O)OC)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C31H32ClN3O4/c1-3-4-16-35-26(29(32)33-30(35)24-8-6-5-7-9-24)20-34(18-22-10-13-25(14-11-22)31(36)37-2)19-23-12-15-27-28(17-23)39-21-38-27/h5-15,17H,3-4,16,18-21H2,1-2H3