2-[(4-propoxyphenyl)methyl]-3H-benzimidazole-5-carboxylic acid

Systemtic Name: 2-[(4-propoxyphenyl)methyl]-3H-benzimidazole-5-carboxylic acid Openeye Name: 2-[(4-propoxyphenyl)methyl]-3H-benzimidazole-5-carboxylic acid CAS Name: 2-[(4-propoxyphenyl)methyl]-3H-benzimidazole-5-carboxylic acid IUPAC Name: 2-[(4-propoxyphenyl)methyl]-3H-benzimidazole-5-carboxylic acid Traditional Name: 2-(4-propoxybenzyl)-3H-benzimidazole-5-carboxylic acid Formula: C18H18N2O3 MolecularWeight: 310.34712

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)CC2=NC3=C(N2)C=C(C=C3)C(=O)O

Isomeric SMILES

CCCOC1=CC=C(C=C1)CC2=NC3=C(N2)C=C(C=C3)C(=O)O

InChI

InChI=1S/C18H18N2O3/c1-2-9-23-14-6-3-12(4-7-14)10-17-19-15-8-5-13(18(21)22)11-16(15)20-17/h3-8,11H,2,9-10H2,1H3,(H,19,20)(H,21,22)