ethyl 2-ethyl-4-[2-[4-(phenylcarbonyl)phenoxy]ethanoylamino]-1H-1,5-benzodiazepine-3-carboxylate

Systemtic Name: ethyl 2-ethyl-4-[2-[4-(phenylcarbonyl)phenoxy]ethanoylamino]-1H-1,5-benzodiazepine-3-carboxylate Openeye Name: ethyl 4-[[2-(4-benzoylphenoxy)acetyl]amino]-2-ethyl-1H-1,5-benzodiazepine-3-carboxylate CAS Name: 4-[[2-(4-benzoylphenoxy)-1-oxoethyl]amino]-2-ethyl-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[[2-(4-benzoylphenoxy)acetyl]amino]-2-ethyl-1H-1,5-benzodiazepine-3-carboxylate Traditional Name: 4-[[2-(4-benzoylphenoxy)acetyl]amino]-2-ethyl-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester Formula: C29H27N3O5 MolecularWeight: 497.54178

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC2=CC=CC=C2N1)NC(=O)COC3=CC=C(C=C3)C(=O)C4=CC=CC=C4)C(=O)OCC

Isomeric SMILES

CCC1=C(C(=NC2=CC=CC=C2N1)NC(=O)COC3=CC=C(C=C3)C(=O)C4=CC=CC=C4)C(=O)OCC

InChI

InChI=1S/C29H27N3O5/c1-3-22-26(29(35)36-4-2)28(31-24-13-9-8-12-23(24)30-22)32-25(33)18-37-21-16-14-20(15-17-21)27(34)19-10-6-5-7-11-19/h5-17,30H,3-4,18H2,1-2H3,(H,31,32,33)