methyl 5-ethyl-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]-4-[1-(phenylmethyl)pyrrol-2-yl]carbonyl-pyrrole-3-carboxylate

Systemtic Name: methyl 5-ethyl-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]-4-[1-(phenylmethyl)pyrrol-2-yl]carbonyl-pyrrole-3-carboxylate Openeye Name: methyl 4-(1-benzylpyrrole-2-carbonyl)-1-(tert-butoxycarbonylamino)-5-ethyl-2-methyl-pyrrole-3-carboxylate CAS Name: 5-ethyl-2-methyl-1-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-[oxo-[1-(phenylmethyl)-2-pyrrolyl]methyl]-3-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 4-(1-benzylpyrrole-2-carbonyl)-5-ethyl-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-3-carboxylate Traditional Name: 4-(1-benzylpyrrole-2-carbonyl)-1-(tert-butoxycarbonylamino)-5-ethyl-2-methyl-pyrrole-3-carboxylic acid methyl ester Formula: C26H31N3O5 MolecularWeight: 465.54144

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(N1NC(=O)OC(C)(C)C)C)C(=O)OC)C(=O)C2=CC=CN2CC3=CC=CC=C3

Isomeric SMILES

CCC1=C(C(=C(N1NC(=O)OC(C)(C)C)C)C(=O)OC)C(=O)C2=CC=CN2CC3=CC=CC=C3

InChI

InChI=1S/C26H31N3O5/c1-7-19-22(23(30)20-14-11-15-28(20)16-18-12-9-8-10-13-18)21(24(31)33-6)17(2)29(19)27-25(32)34-26(3,4)5/h8-15H,7,16H2,1-6H3,(H,27,32)