tert-butyl 5-(1-chloranyl-2-oxidanylidene-2-phenylmethoxy-ethyl)-3-(3-methoxy-3-oxidanylidene-propyl)-4-methyl-1H-pyrrole-2-carboxylate

Systemtic Name: tert-butyl 5-(1-chloranyl-2-oxidanylidene-2-phenylmethoxy-ethyl)-3-(3-methoxy-3-oxidanylidene-propyl)-4-methyl-1H-pyrrole-2-carboxylate Openeye Name: tert-butyl 5-(2-benzyloxy-1-chloro-2-oxo-ethyl)-3-(3-methoxy-3-oxo-propyl)-4-methyl-1H-pyrrole-2-carboxylate CAS Name: 5-(1-chloro-2-oxo-2-phenylmethoxyethyl)-3-(3-methoxy-3-oxopropyl)-4-methyl-1H-pyrrole-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-(1-chloro-2-oxo-2-phenylmethoxyethyl)-3-(3-methoxy-3-oxopropyl)-4-methyl-1H-pyrrole-2-carboxylate Traditional Name: 5-(2-benzoxy-1-chloro-2-keto-ethyl)-3-(3-keto-3-methoxy-propyl)-4-methyl-1H-pyrrole-2-carboxylic acid tert-butyl ester Formula: C23H28ClNO6 MolecularWeight: 450.917175

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1CCC(=O)OC)C(=O)OC(C)(C)C)C(C(=O)OCC2=CC=CC=C2)Cl

Isomeric SMILES

CC1=C(NC(=C1CCC(=O)OC)C(=O)OC(C)(C)C)[13CH](C(=O)OCC2=CC=CC=C2)Cl

InChI

InChI=1S/C23H28ClNO6/c1-14-16(11-12-17(26)29-5)20(22(28)31-23(2,3)4)25-19(14)18(24)21(27)30-13-15-9-7-6-8-10-15/h6-10,18,25H,11-13H2,1-5H3/i18+1