methyl 1-(1,3-benzodioxol-5-ylmethyl)-4-(4-imidazol-1-ylphenoxy)pyrrolidine-2-carboxylate

Systemtic Name: methyl 1-(1,3-benzodioxol-5-ylmethyl)-4-(4-imidazol-1-ylphenoxy)pyrrolidine-2-carboxylate Openeye Name: methyl 1-(1,3-benzodioxol-5-ylmethyl)-4-(4-imidazol-1-ylphenoxy)pyrrolidine-2-carboxylate CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[4-(1-imidazolyl)phenoxy]-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl 1-(1,3-benzodioxol-5-ylmethyl)-4-(4-imidazol-1-ylphenoxy)pyrrolidine-2-carboxylate Traditional Name: 4-(4-imidazol-1-ylphenoxy)-1-piperonyl-pyrrolidine-2-carboxylic acid methyl ester Formula: C23H23N3O5 MolecularWeight: 421.44582

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC(CN1CC2=CC3=C(C=C2)OCO3)OC4=CC=C(C=C4)N5C=CN=C5

Isomeric SMILES

COC(=O)C1CC(CN1CC2=CC3=C(C=C2)OCO3)OC4=CC=C(C=C4)N5C=CN=C5

InChI

InChI=1S/C23H23N3O5/c1-28-23(27)20-11-19(31-18-5-3-17(4-6-18)25-9-8-24-14-25)13-26(20)12-16-2-7-21-22(10-16)30-15-29-21/h2-10,14,19-20H,11-13,15H2,1H3