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

Systemtic Name: ethyl 4-[[3-(ethoxymethyl)-1-benzofuran-2-yl]carbonylamino]-2-ethyl-1H-1,5-benzodiazepine-3-carboxylate Openeye Name: ethyl 4-[[3-(ethoxymethyl)benzofuran-2-carbonyl]amino]-2-ethyl-1H-1,5-benzodiazepine-3-carboxylate CAS Name: 4-[[[3-(ethoxymethyl)-2-benzofuranyl]-oxomethyl]amino]-2-ethyl-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[[3-(ethoxymethyl)-1-benzofuran-2-carbonyl]amino]-2-ethyl-1H-1,5-benzodiazepine-3-carboxylate Traditional Name: 4-[[3-(ethoxymethyl)benzofuran-2-carbonyl]amino]-2-ethyl-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester Formula: C26H27N3O5 MolecularWeight: 461.50968

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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)COCC)C(=O)OCC

Isomeric SMILES

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

InChI

InChI=1S/C26H27N3O5/c1-4-18-22(26(31)33-6-3)24(28-20-13-9-8-12-19(20)27-18)29-25(30)23-17(15-32-5-2)16-11-7-10-14-21(16)34-23/h7-14,27H,4-6,15H2,1-3H3,(H,28,29,30)