(phenylmethyl) N-[(3S)-1-ethyl-5-methyl-6-oxidanylidene-1,5-diazocan-3-yl]carbamate

Systemtic Name: (phenylmethyl) N-[(3S)-1-ethyl-5-methyl-6-oxidanylidene-1,5-diazocan-3-yl]carbamate Openeye Name: benzyl N-[(3S)-1-ethyl-5-methyl-6-oxo-1,5-diazocan-3-yl]carbamate CAS Name: N-[(3S)-1-ethyl-5-methyl-6-oxo-1,5-diazocan-3-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(3S)-1-ethyl-5-methyl-6-oxo-1,5-diazocan-3-yl]carbamate Traditional Name: N-[(3S)-1-ethyl-6-keto-5-methyl-1,5-diazocan-3-yl]carbamic acid benzyl ester Formula: C17H25N3O3 MolecularWeight: 319.3987

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCC(=O)N(CC(C1)NC(=O)OCC2=CC=CC=C2)C

Isomeric SMILES

CCN1CCC(=O)N(C[C@H](C1)NC(=O)OCC2=CC=CC=C2)C

InChI

InChI=1S/C17H25N3O3/c1-3-20-10-9-16(21)19(2)11-15(12-20)18-17(22)23-13-14-7-5-4-6-8-14/h4-8,15H,3,9-13H2,1-2H3,(H,18,22)/t15-/m1/s1