ethyl 3-[(3-ethoxycarbonylpiperidin-1-yl)methyl]-8-methoxy-2-oxidanylidene-1,5-dihydro-1,5-benzodiazepine-4-carboxylate

Systemtic Name: ethyl 3-[(3-ethoxycarbonylpiperidin-1-yl)methyl]-8-methoxy-2-oxidanylidene-1,5-dihydro-1,5-benzodiazepine-4-carboxylate Openeye Name: ethyl 3-[(3-ethoxycarbonyl-1-piperidyl)methyl]-8-methoxy-2-oxo-1,5-dihydro-1,5-benzodiazepine-4-carboxylate CAS Name: 3-[(3-ethoxycarbonyl-1-piperidinyl)methyl]-8-methoxy-2-oxo-1,5-dihydro-1,5-benzodiazepine-4-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[(3-ethoxycarbonylpiperidin-1-yl)methyl]-8-methoxy-2-oxo-1,5-dihydro-1,5-benzodiazepine-4-carboxylate Traditional Name: 3-[(3-carbethoxypiperidino)methyl]-2-keto-8-methoxy-1,5-dihydro-1,5-benzodiazepine-4-carboxylic acid ethyl ester Formula: C22H29N3O6 MolecularWeight: 431.48216

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)CC2=C(NC3=C(C=C(C=C3)OC)NC2=O)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1CCCN(C1)CC2=C(NC3=C(C=C(C=C3)OC)NC2=O)C(=O)OCC

InChI

InChI=1S/C22H29N3O6/c1-4-30-21(27)14-7-6-10-25(12-14)13-16-19(22(28)31-5-2)23-17-9-8-15(29-3)11-18(17)24-20(16)26/h8-9,11,14,23H,4-7,10,12-13H2,1-3H3,(H,24,26)