O4-[2-[(4-butylphenyl)amino]-2-oxidanylidene-ethyl] O2-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate

Systemtic Name: O4-[2-[(4-butylphenyl)amino]-2-oxidanylidene-ethyl] O2-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Openeye Name: O4-[2-(4-butylanilino)-2-oxo-ethyl] O2-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate CAS Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O4-[2-(4-butylanilino)-2-oxoethyl] ester O2-ethyl ester IUPAC Name: 4-O-[2-(4-butylanilino)-2-oxoethyl] 2-O-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Traditional Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O4-[2-(4-butylanilino)-2-keto-ethyl] ester O2-ethyl ester Formula: C22H28N2O5 MolecularWeight: 400.46812

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)COC(=O)C2=C(NC(=C2C)C(=O)OCC)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)COC(=O)C2=C(NC(=C2C)C(=O)OCC)C

InChI

InChI=1S/C22H28N2O5/c1-5-7-8-16-9-11-17(12-10-16)24-18(25)13-29-21(26)19-14(3)20(23-15(19)4)22(27)28-6-2/h9-12,23H,5-8,13H2,1-4H3,(H,24,25)