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

Systemtic Name: methyl 2,5-dimethyl-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)-2,5-dimethyl-pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-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)-2,5-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-3-carboxylate Traditional Name: 4-(1-benzylpyrrole-2-carbonyl)-1-(tert-butoxycarbonylamino)-2,5-dimethyl-pyrrole-3-carboxylic acid methyl ester Formula: C25H29N3O5 MolecularWeight: 451.51486

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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=CN2CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=C(N1NC(=O)OC(C)(C)C)C)C(=O)OC)C(=O)C2=CC=CN2CC3=CC=CC=C3

InChI

InChI=1S/C25H29N3O5/c1-16-20(22(29)19-13-10-14-27(19)15-18-11-8-7-9-12-18)21(23(30)32-6)17(2)28(16)26-24(31)33-25(3,4)5/h7-14H,15H2,1-6H3,(H,26,31)