methyl 4-[[(3-butyl-2-phenyl-imidazol-4-yl)methyl-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)amino]methyl]benzoate

Systemtic Name: methyl 4-[[(3-butyl-2-phenyl-imidazol-4-yl)methyl-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)amino]methyl]benzoate Openeye Name: methyl 4-[[(3-butyl-2-phenyl-imidazol-4-yl)methyl-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)amino]methyl]benzoate CAS Name: 4-[[(3-butyl-2-phenyl-4-imidazolyl)methyl-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(3-butyl-2-phenylimidazol-4-yl)methyl-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)amino]methyl]benzoate Traditional Name: 4-[[(3-butyl-2-phenyl-imidazol-4-yl)methyl-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)amino]methyl]benzoic acid methyl ester Formula: C32H35N3O4 MolecularWeight: 525.638

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=CN=C1C2=CC=CC=C2)CN(CC3=CC=C(C=C3)C(=O)OC)CC4=CC5=C(C=C4)OCCO5

Isomeric SMILES

CCCCN1C(=CN=C1C2=CC=CC=C2)CN(CC3=CC=C(C=C3)C(=O)OC)CC4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C32H35N3O4/c1-3-4-16-35-28(20-33-31(35)26-8-6-5-7-9-26)23-34(21-24-10-13-27(14-11-24)32(36)37-2)22-25-12-15-29-30(19-25)39-18-17-38-29/h5-15,19-20H,3-4,16-18,21-23H2,1-2H3