[3-(3-imidazol-1-ylpropylcarbamoyl)-2-methyl-benzo[g][1]benzofuran-5-yl] ethanoate

Systemtic Name: [3-(3-imidazol-1-ylpropylcarbamoyl)-2-methyl-benzo[g][1]benzofuran-5-yl] ethanoate Openeye Name: [3-(3-imidazol-1-ylpropylcarbamoyl)-2-methyl-benzo[g]benzofuran-5-yl] acetate CAS Name: acetic acid [3-[[3-(1-imidazolyl)propylamino]-oxomethyl]-2-methyl-5-benzo[g]benzofuranyl] ester IUPAC Name: [3-(3-imidazol-1-ylpropylcarbamoyl)-2-methylbenzo[g][1]benzofuran-5-yl] acetate Traditional Name: acetic acid [3-(3-imidazol-1-ylpropylcarbamoyl)-2-methyl-benzo[g]benzofuran-5-yl] ester Formula: C22H21N3O4 MolecularWeight: 391.41984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(O1)C3=CC=CC=C3C(=C2)OC(=O)C)C(=O)NCCCN4C=CN=C4

Isomeric SMILES

CC1=C(C2=C(O1)C3=CC=CC=C3C(=C2)OC(=O)C)C(=O)NCCCN4C=CN=C4

InChI

InChI=1S/C22H21N3O4/c1-14-20(22(27)24-8-5-10-25-11-9-23-13-25)18-12-19(29-15(2)26)16-6-3-4-7-17(16)21(18)28-14/h3-4,6-7,9,11-13H,5,8,10H2,1-2H3,(H,24,27)