ethyl 6-oxidanylidene-8,10-di(propan-2-yl)-5H-benzo[b][1,4]benzoxazepine-3-carboxylate

Systemtic Name: ethyl 6-oxidanylidene-8,10-di(propan-2-yl)-5H-benzo[b][1,4]benzoxazepine-3-carboxylate Openeye Name: ethyl 8,10-diisopropyl-6-oxo-5H-benzo[b][1,4]benzoxazepine-3-carboxylate CAS Name: 6-oxo-8,10-di(propan-2-yl)-5H-benzo[b][1,4]benzoxazepine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-oxo-8,10-di(propan-2-yl)-5H-benzo[b][1,4]benzoxazepine-3-carboxylate Traditional Name: 8,10-diisopropyl-6-keto-5H-benzo[b][1,4]benzoxazepine-3-carboxylic acid ethyl ester Formula: C22H25NO4 MolecularWeight: 367.4382

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)OC3=C(C=C(C=C3C(=O)N2)C(C)C)C(C)C

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)OC3=C(C=C(C=C3C(=O)N2)C(C)C)C(C)C

InChI

InChI=1S/C22H25NO4/c1-6-26-22(25)14-7-8-19-18(11-14)23-21(24)17-10-15(12(2)3)9-16(13(4)5)20(17)27-19/h7-13H,6H2,1-5H3,(H,23,24)