ethyl 2-oxidanylidene-3-[(4-oxidanyl-3-propyl-phenyl)methyl]benzimidazole-1-carboxylate

Systemtic Name: ethyl 2-oxidanylidene-3-[(4-oxidanyl-3-propyl-phenyl)methyl]benzimidazole-1-carboxylate Openeye Name: ethyl 3-[(4-hydroxy-3-propyl-phenyl)methyl]-2-oxo-benzimidazole-1-carboxylate CAS Name: 3-[(4-hydroxy-3-propylphenyl)methyl]-2-oxo-1-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(4-hydroxy-3-propylphenyl)methyl]-2-oxobenzimidazole-1-carboxylate Traditional Name: 3-(4-hydroxy-3-propyl-benzyl)-2-keto-benzimidazole-1-carboxylic acid ethyl ester Formula: C20H22N2O4 MolecularWeight: 354.39968

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1)CN2C3=CC=CC=C3N(C2=O)C(=O)OCC)O

Isomeric SMILES

CCCC1=C(C=CC(=C1)CN2C3=CC=CC=C3N(C2=O)C(=O)OCC)O

InChI

InChI=1S/C20H22N2O4/c1-3-7-15-12-14(10-11-18(15)23)13-21-16-8-5-6-9-17(16)22(19(21)24)20(25)26-4-2/h5-6,8-12,23H,3-4,7,13H2,1-2H3