4-[5-ethyl-1-methyl-4-[3-(octylamino)phenyl]carbonyl-pyrrol-2-yl]butanoic acid

Systemtic Name: 4-[5-ethyl-1-methyl-4-[3-(octylamino)phenyl]carbonyl-pyrrol-2-yl]butanoic acid Openeye Name: 4-[5-ethyl-1-methyl-4-[3-(octylamino)benzoyl]pyrrol-2-yl]butanoic acid CAS Name: 4-[5-ethyl-1-methyl-4-[[3-(octylamino)phenyl]-oxomethyl]-2-pyrrolyl]butanoic acid IUPAC Name: 4-[5-ethyl-1-methyl-4-[3-(octylamino)benzoyl]pyrrol-2-yl]butanoic acid Traditional Name: 4-[5-ethyl-1-methyl-4-[3-(octylamino)benzoyl]pyrrol-2-yl]butyric acid Formula: C26H38N2O3 MolecularWeight: 426.59152

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC1=CC=CC(=C1)C(=O)C2=C(N(C(=C2)CCCC(=O)O)C)CC

Isomeric SMILES

CCCCCCCCNC1=CC=CC(=C1)C(=O)C2=C(N(C(=C2)CCCC(=O)O)C)CC

InChI

InChI=1S/C26H38N2O3/c1-4-6-7-8-9-10-17-27-21-14-11-13-20(18-21)26(31)23-19-22(15-12-16-25(29)30)28(3)24(23)5-2/h11,13-14,18-19,27H,4-10,12,15-17H2,1-3H3,(H,29,30)