dimethyl (E,2S)-6-oxidanyl-2-(phenylmethoxycarbonylamino)hept-3-enedioate

Systemtic Name: dimethyl (E,2S)-6-oxidanyl-2-(phenylmethoxycarbonylamino)hept-3-enedioate Openeye Name: dimethyl (E,2S)-2-(benzyloxycarbonylamino)-6-hydroxy-hept-3-enedioate CAS Name: (E,2S)-6-hydroxy-2-(phenylmethoxycarbonylamino)-3-heptenedioic acid dimethyl ester IUPAC Name: dimethyl (E,2S)-6-hydroxy-2-(phenylmethoxycarbonylamino)hept-3-enedioate Traditional Name: (E,2S)-2-(benzyloxycarbonylamino)-6-hydroxy-hept-3-enedioic acid dimethyl ester Formula: C17H21NO7 MolecularWeight: 351.35114

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC=CC(C(=O)OC)NC(=O)OCC1=CC=CC=C1)O

Isomeric SMILES

COC(=O)[C@H](/C=C/CC(C(=O)OC)O)NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C17H21NO7/c1-23-15(20)13(9-6-10-14(19)16(21)24-2)18-17(22)25-11-12-7-4-3-5-8-12/h3-9,13-14,19H,10-11H2,1-2H3,(H,18,22)/b9-6+/t13-,14?/m0/s1