(E,7S)-7-(4-methoxy-3-oxidanyl-phenyl)-7-[(4-methylphenyl)carbamoyloxy]hept-2-enoic acid

Systemtic Name: (E,7S)-7-(4-methoxy-3-oxidanyl-phenyl)-7-[(4-methylphenyl)carbamoyloxy]hept-2-enoic acid Openeye Name: (E,7S)-7-(3-hydroxy-4-methoxy-phenyl)-7-(p-tolylcarbamoyloxy)hept-2-enoic acid CAS Name: (E,7S)-7-(3-hydroxy-4-methoxyphenyl)-7-[(4-methylanilino)-oxomethoxy]-2-heptenoic acid IUPAC Name: (E,7S)-7-(3-hydroxy-4-methoxyphenyl)-7-[(4-methylphenyl)carbamoyloxy]hept-2-enoic acid Traditional Name: (E,7S)-7-(3-hydroxy-4-methoxy-phenyl)-7-(p-tolylcarbamoyloxy)hept-2-enoic acid Formula: C22H25NO6 MolecularWeight: 399.437

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)OC(CCCC=CC(=O)O)C2=CC(=C(C=C2)OC)O

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)O[C@@H](CCC/C=C/C(=O)O)C2=CC(=C(C=C2)OC)O

InChI

InChI=1S/C22H25NO6/c1-15-8-11-17(12-9-15)23-22(27)29-19(6-4-3-5-7-21(25)26)16-10-13-20(28-2)18(24)14-16/h5,7-14,19,24H,3-4,6H2,1-2H3,(H,23,27)(H,25,26)/b7-5+/t19-/m0/s1