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

Systemtic Name: tert-butyl 3-oxidanylidene-4-(phenylmethoxymethyl)-1,4-diazepane-1-carboxylate Openeye Name: tert-butyl 4-(benzyloxymethyl)-3-oxo-1,4-diazepane-1-carboxylate CAS Name: 3-oxo-4-(phenylmethoxymethyl)-1,4-diazepane-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-oxo-4-(phenylmethoxymethyl)-1,4-diazepane-1-carboxylate Traditional Name: 4-(benzoxymethyl)-3-keto-1,4-diazepane-1-carboxylic acid tert-butyl ester Formula: C18H26N2O4 MolecularWeight: 334.41004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N2O4/c1-18(2,3)24-17(22)19-10-7-11-20(16(21)12-19)14-23-13-15-8-5-4-6-9-15/h4-6,8-9H,7,10-14H2,1-3H3