tert-butyl 2-methylidene-3-oxidanylidene-4-(phenylmethoxymethyl)-1,4-diazepane-1-carboxylate

Systemtic Name: tert-butyl 2-methylidene-3-oxidanylidene-4-(phenylmethoxymethyl)-1,4-diazepane-1-carboxylate Openeye Name: tert-butyl 4-(benzyloxymethyl)-2-methylene-3-oxo-1,4-diazepane-1-carboxylate CAS Name: 2-methylene-3-oxo-4-(phenylmethoxymethyl)-1,4-diazepane-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-methylidene-3-oxo-4-(phenylmethoxymethyl)-1,4-diazepane-1-carboxylate Traditional Name: 4-(benzoxymethyl)-3-keto-2-methylene-1,4-diazepane-1-carboxylic acid tert-butyl ester Formula: C19H26N2O4 MolecularWeight: 346.42074

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCN(C(=O)C1=C)COCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCN(C(=O)C1=C)COCC2=CC=CC=C2

InChI

InChI=1S/C19H26N2O4/c1-15-17(22)20(14-24-13-16-9-6-5-7-10-16)11-8-12-21(15)18(23)25-19(2,3)4/h5-7,9-10H,1,8,11-14H2,2-4H3