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

Systemtic Name: ethyl 2-ethyl-4-[[3-(phenoxymethyl)-1-benzofuran-2-yl]carbonylamino]-1H-1,5-benzodiazepine-3-carboxylate Openeye Name: ethyl 2-ethyl-4-[[3-(phenoxymethyl)benzofuran-2-carbonyl]amino]-1H-1,5-benzodiazepine-3-carboxylate CAS Name: 2-ethyl-4-[[oxo-[3-(phenoxymethyl)-2-benzofuranyl]methyl]amino]-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-ethyl-4-[[3-(phenoxymethyl)-1-benzofuran-2-carbonyl]amino]-1H-1,5-benzodiazepine-3-carboxylate Traditional Name: 2-ethyl-4-[[3-(phenoxymethyl)benzofuran-2-carbonyl]amino]-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester Formula: C30H27N3O5 MolecularWeight: 509.55248

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC2=CC=CC=C2N1)NC(=O)C3=C(C4=CC=CC=C4O3)COC5=CC=CC=C5)C(=O)OCC

Isomeric SMILES

CCC1=C(C(=NC2=CC=CC=C2N1)NC(=O)C3=C(C4=CC=CC=C4O3)COC5=CC=CC=C5)C(=O)OCC

InChI

InChI=1S/C30H27N3O5/c1-3-22-26(30(35)36-4-2)28(32-24-16-10-9-15-23(24)31-22)33-29(34)27-21(18-37-19-12-6-5-7-13-19)20-14-8-11-17-25(20)38-27/h5-17,31H,3-4,18H2,1-2H3,(H,32,33,34)