2-[(E)-2-(3-methoxy-2-prop-2-enoxy-phenyl)ethenyl]-1H-benzimidazole-4-carboxylate

Systemtic Name: 2-[(E)-2-(3-methoxy-2-prop-2-enoxy-phenyl)ethenyl]-1H-benzimidazole-4-carboxylate Openeye Name: 2-[(E)-2-(2-allyloxy-3-methoxy-phenyl)vinyl]-1H-benzimidazole-4-carboxylate CAS Name: 2-[(E)-2-(3-methoxy-2-prop-2-enoxyphenyl)ethenyl]-1H-benzimidazole-4-carboxylate IUPAC Name: 2-[(E)-2-(3-methoxy-2-prop-2-enoxyphenyl)ethenyl]-1H-benzimidazole-4-carboxylate Traditional Name: 2-[(E)-2-(2-allyloxy-3-methoxy-phenyl)vinyl]-1H-benzimidazole-4-carboxylate Formula: C20H17N2O4- MolecularWeight: 349.35998

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OCC=C)C=CC2=NC3=C(C=CC=C3N2)C(=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1OCC=C)/C=C/C2=NC3=C(C=CC=C3N2)C(=O)[O-]

InChI

InChI=1S/C20H18N2O4/c1-3-12-26-19-13(6-4-9-16(19)25-2)10-11-17-21-15-8-5-7-14(20(23)24)18(15)22-17/h3-11H,1,12H2,2H3,(H,21,22)(H,23,24)/p-1/b11-10+