methyl 2-(1,3-benzodioxol-5-yl)-3-[1-(triphenylmethyl)imidazol-4-yl]propanoate

Systemtic Name: methyl 2-(1,3-benzodioxol-5-yl)-3-[1-(triphenylmethyl)imidazol-4-yl]propanoate Openeye Name: methyl 2-(1,3-benzodioxol-5-yl)-3-(1-tritylimidazol-4-yl)propanoate CAS Name: 2-(1,3-benzodioxol-5-yl)-3-[1-(triphenylmethyl)-4-imidazolyl]propanoic acid methyl ester IUPAC Name: methyl 2-(1,3-benzodioxol-5-yl)-3-(1-tritylimidazol-4-yl)propanoate Traditional Name: 2-(1,3-benzodioxol-5-yl)-3-(1-tritylimidazol-4-yl)propionic acid methyl ester Formula: C33H28N2O4 MolecularWeight: 516.58642

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CN(C=N1)C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC6=C(C=C5)OCO6

Isomeric SMILES

COC(=O)C(CC1=CN(C=N1)C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C33H28N2O4/c1-37-32(36)29(24-17-18-30-31(19-24)39-23-38-30)20-28-21-35(22-34-28)33(25-11-5-2-6-12-25,26-13-7-3-8-14-26)27-15-9-4-10-16-27/h2-19,21-22,29H,20,23H2,1H3