dimethyl 2-[(4-pyridin-2-yl-3,5-dihydro-2H-1,4-benzoxazepin-7-yl)methylidene]propanedioate

Systemtic Name: dimethyl 2-[(4-pyridin-2-yl-3,5-dihydro-2H-1,4-benzoxazepin-7-yl)methylidene]propanedioate Openeye Name: dimethyl 2-[[4-(2-pyridyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methylene]propanedioate CAS Name: 2-[[4-(2-pyridinyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methylidene]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[(4-pyridin-2-yl-3,5-dihydro-2H-1,4-benzoxazepin-7-yl)methylidene]propanedioate Traditional Name: 2-[[4-(2-pyridyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methylene]malonic acid dimethyl ester Formula: C20H20N2O5 MolecularWeight: 368.3832

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=CC1=CC2=C(C=C1)OCCN(C2)C3=CC=CC=N3)C(=O)OC

Isomeric SMILES

COC(=O)C(=CC1=CC2=C(C=C1)OCCN(C2)C3=CC=CC=N3)C(=O)OC

InChI

InChI=1S/C20H20N2O5/c1-25-19(23)16(20(24)26-2)12-14-6-7-17-15(11-14)13-22(9-10-27-17)18-5-3-4-8-21-18/h3-8,11-12H,9-10,13H2,1-2H3