ethyl 2-methyl-4-[[3-(phenoxymethyl)-1-benzofuran-2-yl]carbonylamino]-1H-1,5-benzodiazepine-3-carboxylate

Systemtic Name: ethyl 2-methyl-4-[[3-(phenoxymethyl)-1-benzofuran-2-yl]carbonylamino]-1H-1,5-benzodiazepine-3-carboxylate Openeye Name: ethyl 2-methyl-4-[[3-(phenoxymethyl)benzofuran-2-carbonyl]amino]-1H-1,5-benzodiazepine-3-carboxylate CAS Name: 2-methyl-4-[[oxo-[3-(phenoxymethyl)-2-benzofuranyl]methyl]amino]-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-methyl-4-[[3-(phenoxymethyl)-1-benzofuran-2-carbonyl]amino]-1H-1,5-benzodiazepine-3-carboxylate Traditional Name: 2-methyl-4-[[3-(phenoxymethyl)benzofuran-2-carbonyl]amino]-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester Formula: C29H25N3O5 MolecularWeight: 495.5259

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC2=CC=CC=C2N=C1NC(=O)C3=C(C4=CC=CC=C4O3)COC5=CC=CC=C5)C

Isomeric SMILES

CCOC(=O)C1=C(NC2=CC=CC=C2N=C1NC(=O)C3=C(C4=CC=CC=C4O3)COC5=CC=CC=C5)C

InChI

InChI=1S/C29H25N3O5/c1-3-35-29(34)25-18(2)30-22-14-8-9-15-23(22)31-27(25)32-28(33)26-21(17-36-19-11-5-4-6-12-19)20-13-7-10-16-24(20)37-26/h4-16,30H,3,17H2,1-2H3,(H,31,32,33)