3-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-5-[(E)-2-phenylethenyl]-2-propyl-imidazole-4-carboxylate

Systemtic Name: 3-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-5-[(E)-2-phenylethenyl]-2-propyl-imidazole-4-carboxylate Openeye Name: 3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-2-propyl-5-[(E)-styryl]imidazole-4-carboxylate CAS Name: 3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-[(E)-2-phenylethenyl]-2-propyl-4-imidazolecarboxylate IUPAC Name: 3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-[(E)-2-phenylethenyl]-2-propylimidazole-4-carboxylate Traditional Name: 3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-2-propyl-5-[(E)-styryl]imidazole-4-carboxylate Formula: C23H20ClN2O4- MolecularWeight: 423.8689

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=C(N1CC2=CC3=C(C=C2Cl)OCO3)C(=O)[O-])C=CC4=CC=CC=C4

Isomeric SMILES

CCCC1=NC(=C(N1CC2=CC3=C(C=C2Cl)OCO3)C(=O)[O-])/C=C/C4=CC=CC=C4

InChI

InChI=1S/C23H21ClN2O4/c1-2-6-21-25-18(10-9-15-7-4-3-5-8-15)22(23(27)28)26(21)13-16-11-19-20(12-17(16)24)30-14-29-19/h3-5,7-12H,2,6,13-14H2,1H3,(H,27,28)/p-1/b10-9+