ethyl (5R,7S)-6-acetyloxy-4-[(4-methoxyphenyl)methyl]-3-oxidanylidene-7-(phenylmethyl)-1,4-diazepane-5-carboxylate

Systemtic Name: ethyl (5R,7S)-6-acetyloxy-4-[(4-methoxyphenyl)methyl]-3-oxidanylidene-7-(phenylmethyl)-1,4-diazepane-5-carboxylate Openeye Name: ethyl (5R,7S)-6-acetoxy-7-benzyl-4-[(4-methoxyphenyl)methyl]-3-oxo-1,4-diazepane-5-carboxylate CAS Name: (5R,7S)-6-acetyloxy-4-[(4-methoxyphenyl)methyl]-3-oxo-7-(phenylmethyl)-1,4-diazepane-5-carboxylic acid ethyl ester IUPAC Name: ethyl (5R,7S)-6-acetyloxy-7-benzyl-4-[(4-methoxyphenyl)methyl]-3-oxo-1,4-diazepane-5-carboxylate Traditional Name: (5R,7S)-6-acetoxy-7-benzyl-3-keto-4-p-anisyl-1,4-diazepane-5-carboxylic acid ethyl ester Formula: C25H30N2O6 MolecularWeight: 454.5155

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(C(NCC(=O)N1CC2=CC=C(C=C2)OC)CC3=CC=CC=C3)OC(=O)C

Isomeric SMILES

CCOC(=O)[C@H]1C([C@@H](NCC(=O)N1CC2=CC=C(C=C2)OC)CC3=CC=CC=C3)OC(=O)C

InChI

InChI=1S/C25H30N2O6/c1-4-32-25(30)23-24(33-17(2)28)21(14-18-8-6-5-7-9-18)26-15-22(29)27(23)16-19-10-12-20(31-3)13-11-19/h5-13,21,23-24,26H,4,14-16H2,1-3H3/t21-,23+,24?/m0/s1