tert-butyl 3,5-diethyl-2,3,5-trimethyl-7-oxidanylidene-4-(1-phenylethoxy)-1,4-diazepane-1-carboxylate

Systemtic Name: tert-butyl 3,5-diethyl-2,3,5-trimethyl-7-oxidanylidene-4-(1-phenylethoxy)-1,4-diazepane-1-carboxylate Openeye Name: tert-butyl 3,5-diethyl-2,3,5-trimethyl-7-oxo-4-(1-phenylethoxy)-1,4-diazepane-1-carboxylate CAS Name: 3,5-diethyl-2,3,5-trimethyl-7-oxo-4-(1-phenylethoxy)-1,4-diazepane-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3,5-diethyl-2,3,5-trimethyl-7-oxo-4-(1-phenylethoxy)-1,4-diazepane-1-carboxylate Traditional Name: 3,5-diethyl-7-keto-2,3,5-trimethyl-4-(1-phenylethoxy)-1,4-diazepane-1-carboxylic acid tert-butyl ester Formula: C25H40N2O4 MolecularWeight: 432.5961

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CC(=O)N(C(C(N1OC(C)C2=CC=CC=C2)(C)CC)C)C(=O)OC(C)(C)C)C

Isomeric SMILES

CCC1(CC(=O)N(C(C(N1OC(C)C2=CC=CC=C2)(C)CC)C)C(=O)OC(C)(C)C)C

InChI

InChI=1S/C25H40N2O4/c1-10-24(8)17-21(28)26(22(29)30-23(5,6)7)19(4)25(9,11-2)27(24)31-18(3)20-15-13-12-14-16-20/h12-16,18-19H,10-11,17H2,1-9H3