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

Systemtic Name: methyl 5-ethyl-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]-4-[2-(phenylmethyl)phenyl]carbonyl-pyrrole-3-carboxylate Openeye Name: methyl 4-(2-benzylbenzoyl)-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-[2-(phenylmethyl)phenyl]methyl]-3-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 4-(2-benzylbenzoyl)-5-ethyl-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-3-carboxylate Traditional Name: 4-(2-benzylbenzoyl)-1-(tert-butoxycarbonylamino)-5-ethyl-2-methyl-pyrrole-3-carboxylic acid methyl ester Formula: C28H32N2O5 MolecularWeight: 476.56408

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(N1NC(=O)OC(C)(C)C)C)C(=O)OC)C(=O)C2=CC=CC=C2CC3=CC=CC=C3

Isomeric SMILES

CCC1=C(C(=C(N1NC(=O)OC(C)(C)C)C)C(=O)OC)C(=O)C2=CC=CC=C2CC3=CC=CC=C3

InChI

InChI=1S/C28H32N2O5/c1-7-22-24(23(26(32)34-6)18(2)30(22)29-27(33)35-28(3,4)5)25(31)21-16-12-11-15-20(21)17-19-13-9-8-10-14-19/h8-16H,7,17H2,1-6H3,(H,29,33)