2-(3-methoxy-4-propoxy-phenyl)-3H-benzimidazole-5-carboxylic acid

Systemtic Name: 2-(3-methoxy-4-propoxy-phenyl)-3H-benzimidazole-5-carboxylic acid Openeye Name: 2-(3-methoxy-4-propoxy-phenyl)-3H-benzimidazole-5-carboxylic acid CAS Name: 2-(3-methoxy-4-propoxyphenyl)-3H-benzimidazole-5-carboxylic acid IUPAC Name: 2-(3-methoxy-4-propoxyphenyl)-3H-benzimidazole-5-carboxylic acid Traditional Name: 2-(3-methoxy-4-propoxy-phenyl)-3H-benzimidazole-5-carboxylic acid Formula: C18H18N2O4 MolecularWeight: 326.34652

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C2=NC3=C(N2)C=C(C=C3)C(=O)O)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C2=NC3=C(N2)C=C(C=C3)C(=O)O)OC

InChI

InChI=1S/C18H18N2O4/c1-3-8-24-15-7-5-11(10-16(15)23-2)17-19-13-6-4-12(18(21)22)9-14(13)20-17/h4-7,9-10H,3,8H2,1-2H3,(H,19,20)(H,21,22)