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

Systemtic Name: methyl 2,5-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]-4-[2-(phenylmethyl)phenyl]carbonyl-pyrrole-3-carboxylate Openeye Name: methyl 4-(2-benzylbenzoyl)-1-(tert-butoxycarbonylamino)-2,5-dimethyl-pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-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)-2,5-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-3-carboxylate Traditional Name: 4-(2-benzylbenzoyl)-1-(tert-butoxycarbonylamino)-2,5-dimethyl-pyrrole-3-carboxylic acid methyl ester Formula: C27H30N2O5 MolecularWeight: 462.5375

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1NC(=O)OC(C)(C)C)C)C(=O)OC)C(=O)C2=CC=CC=C2CC3=CC=CC=C3

Isomeric SMILES

CC1=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/C27H30N2O5/c1-17-22(23(25(31)33-6)18(2)29(17)28-26(32)34-27(3,4)5)24(30)21-15-11-10-14-20(21)16-19-12-8-7-9-13-19/h7-15H,16H2,1-6H3,(H,28,32)