ethyl 9-(2-oxidanylidenepyrrolidin-1-yl)-2,3-dihydro-1-benzoxepine-4-carboxylate

Systemtic Name: ethyl 9-(2-oxidanylidenepyrrolidin-1-yl)-2,3-dihydro-1-benzoxepine-4-carboxylate Openeye Name: ethyl 9-(2-oxopyrrolidin-1-yl)-2,3-dihydro-1-benzoxepine-4-carboxylate CAS Name: 9-(2-oxo-1-pyrrolidinyl)-2,3-dihydro-1-benzoxepin-4-carboxylic acid ethyl ester IUPAC Name: ethyl 9-(2-oxopyrrolidin-1-yl)-2,3-dihydro-1-benzoxepine-4-carboxylate Traditional Name: 9-(2-ketopyrrolidino)-2,3-dihydro-1-benzoxepin-4-carboxylic acid ethyl ester Formula: C17H19NO4 MolecularWeight: 301.33706

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C(=CC=C2)N3CCCC3=O)OCC1

Isomeric SMILES

CCOC(=O)C1=CC2=C(C(=CC=C2)N3CCCC3=O)OCC1

InChI

InChI=1S/C17H19NO4/c1-2-21-17(20)13-8-10-22-16-12(11-13)5-3-6-14(16)18-9-4-7-15(18)19/h3,5-6,11H,2,4,7-10H2,1H3