ethyl 3-(2,1,3-benzoxadiazol-5-ylcarbonylamino)-4-(4-methoxyphenyl)-1-(phenylmethyl)pyrrole-2-carboxylate

Systemtic Name: ethyl 3-(2,1,3-benzoxadiazol-5-ylcarbonylamino)-4-(4-methoxyphenyl)-1-(phenylmethyl)pyrrole-2-carboxylate Openeye Name: ethyl 3-(2,1,3-benzoxadiazole-5-carbonylamino)-1-benzyl-4-(4-methoxyphenyl)pyrrole-2-carboxylate CAS Name: 3-[[2,1,3-benzoxadiazol-5-yl(oxo)methyl]amino]-4-(4-methoxyphenyl)-1-(phenylmethyl)-2-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(2,1,3-benzoxadiazole-5-carbonylamino)-1-benzyl-4-(4-methoxyphenyl)pyrrole-2-carboxylate Traditional Name: 3-(benzofurazan-5-carbonylamino)-1-benzyl-4-(4-methoxyphenyl)pyrrole-2-carboxylic acid ethyl ester Formula: C28H24N4O5 MolecularWeight: 496.51396

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=CN1CC2=CC=CC=C2)C3=CC=C(C=C3)OC)NC(=O)C4=CC5=NON=C5C=C4

Isomeric SMILES

CCOC(=O)C1=C(C(=CN1CC2=CC=CC=C2)C3=CC=C(C=C3)OC)NC(=O)C4=CC5=NON=C5C=C4

InChI

InChI=1S/C28H24N4O5/c1-3-36-28(34)26-25(29-27(33)20-11-14-23-24(15-20)31-37-30-23)22(19-9-12-21(35-2)13-10-19)17-32(26)16-18-7-5-4-6-8-18/h4-15,17H,3,16H2,1-2H3,(H,29,33)