O2-tert-butyl O4-methyl 3-ethyl-5-[[(4-pentylphenyl)amino]methyl]-1H-pyrrole-2,4-dicarboxylate

Systemtic Name: O2-tert-butyl O4-methyl 3-ethyl-5-[[(4-pentylphenyl)amino]methyl]-1H-pyrrole-2,4-dicarboxylate Openeye Name: O2-tert-butyl O4-methyl 3-ethyl-5-[(4-pentylanilino)methyl]-1H-pyrrole-2,4-dicarboxylate CAS Name: 3-ethyl-5-[(4-pentylanilino)methyl]-1H-pyrrole-2,4-dicarboxylic acid O2-tert-butyl ester O4-methyl ester IUPAC Name: 2-O-tert-butyl 4-O-methyl 3-ethyl-5-[(4-pentylanilino)methyl]-1H-pyrrole-2,4-dicarboxylate Traditional Name: 5-[(4-amylanilino)methyl]-3-ethyl-1H-pyrrole-2,4-dicarboxylic acid O2-tert-butyl ester O4-methyl ester Formula: C25H36N2O4 MolecularWeight: 428.56434

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)NCC2=C(C(=C(N2)C(=O)OC(C)(C)C)CC)C(=O)OC

Isomeric SMILES

CCCCCC1=CC=C(C=C1)NCC2=C(C(=C(N2)C(=O)OC(C)(C)C)CC)C(=O)OC

InChI

InChI=1S/C25H36N2O4/c1-7-9-10-11-17-12-14-18(15-13-17)26-16-20-21(23(28)30-6)19(8-2)22(27-20)24(29)31-25(3,4)5/h12-15,26-27H,7-11,16H2,1-6H3