ethyl (4R)-4-(3-imidazol-1-ylpropyliminomethyl)-2-methyl-5-oxidanylidene-4H-benzo[g][1]benzofuran-3-carboxylate

Systemtic Name: ethyl (4R)-4-(3-imidazol-1-ylpropyliminomethyl)-2-methyl-5-oxidanylidene-4H-benzo[g][1]benzofuran-3-carboxylate Openeye Name: ethyl (4R)-4-(3-imidazol-1-ylpropyliminomethyl)-2-methyl-5-oxo-4H-benzo[g]benzofuran-3-carboxylate CAS Name: (4R)-4-[3-(1-imidazolyl)propyliminomethyl]-2-methyl-5-oxo-4H-benzo[g]benzofuran-3-carboxylic acid ethyl ester IUPAC Name: ethyl (4R)-4-(3-imidazol-1-ylpropyliminomethyl)-2-methyl-5-oxo-4H-benzo[g][1]benzofuran-3-carboxylate Traditional Name: (4R)-4-(3-imidazol-1-ylpropyliminomethyl)-5-keto-2-methyl-4H-benzo[g]benzofuran-3-carboxylic acid ethyl ester Formula: C23H23N3O4 MolecularWeight: 405.44642

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C1C(C(=O)C3=CC=CC=C32)C=NCCCN4C=CN=C4)C

Isomeric SMILES

CCOC(=O)C1=C(OC2=C1[C@@H](C(=O)C3=CC=CC=C32)C=NCCCN4C=CN=C4)C

InChI

InChI=1S/C23H23N3O4/c1-3-29-23(28)19-15(2)30-22-17-8-5-4-7-16(17)21(27)18(20(19)22)13-24-9-6-11-26-12-10-25-14-26/h4-5,7-8,10,12-14,18H,3,6,9,11H2,1-2H3/t18-/m0/s1