[(2E,6S)-2-(2-methoxy-2-oxidanylidene-ethylidene)-3-oxidanylidene-1,4-diazepan-6-yl] 4-tert-butylbenzoate

Systemtic Name: [(2E,6S)-2-(2-methoxy-2-oxidanylidene-ethylidene)-3-oxidanylidene-1,4-diazepan-6-yl] 4-tert-butylbenzoate Openeye Name: [(2E,6S)-2-(2-methoxy-2-oxo-ethylidene)-3-oxo-1,4-diazepan-6-yl] 4-tert-butylbenzoate CAS Name: 4-tert-butylbenzoic acid [(2E,6S)-2-(2-methoxy-2-oxoethylidene)-3-oxo-1,4-diazepan-6-yl] ester IUPAC Name: [(2E,6S)-2-(2-methoxy-2-oxoethylidene)-3-oxo-1,4-diazepan-6-yl] 4-tert-butylbenzoate Traditional Name: 4-tert-butylbenzoic acid [(3E,6S)-2-keto-3-(2-keto-2-methoxy-ethylidene)-1,4-diazepan-6-yl] ester Formula: C19H24N2O5 MolecularWeight: 360.40426

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)OC2CNC(=CC(=O)OC)C(=O)NC2

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)O[C@H]2CN/C(=C/C(=O)OC)/C(=O)NC2

InChI

InChI=1S/C19H24N2O5/c1-19(2,3)13-7-5-12(6-8-13)18(24)26-14-10-20-15(9-16(22)25-4)17(23)21-11-14/h5-9,14,20H,10-11H2,1-4H3,(H,21,23)/b15-9+/t14-/m0/s1