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

Systemtic Name: 4-[5-ethyl-4-[3-(2-ethyloctylamino)phenyl]carbonyl-1-methyl-pyrrol-2-yl]butanoic acid Openeye Name: 4-[5-ethyl-4-[3-(2-ethyloctylamino)benzoyl]-1-methyl-pyrrol-2-yl]butanoic acid CAS Name: 4-[5-ethyl-4-[[3-(2-ethyloctylamino)phenyl]-oxomethyl]-1-methyl-2-pyrrolyl]butanoic acid IUPAC Name: 4-[5-ethyl-4-[3-(2-ethyloctylamino)benzoyl]-1-methylpyrrol-2-yl]butanoic acid Traditional Name: 4-[5-ethyl-4-[3-(2-ethyloctylamino)benzoyl]-1-methyl-pyrrol-2-yl]butyric acid Formula: C28H42N2O3 MolecularWeight: 454.64468

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CC)CNC1=CC=CC(=C1)C(=O)C2=C(N(C(=C2)CCCC(=O)O)C)CC

Isomeric SMILES

CCCCCCC(CC)CNC1=CC=CC(=C1)C(=O)C2=C(N(C(=C2)CCCC(=O)O)C)CC

InChI

InChI=1S/C28H42N2O3/c1-5-8-9-10-13-21(6-2)20-29-23-15-11-14-22(18-23)28(33)25-19-24(16-12-17-27(31)32)30(4)26(25)7-3/h11,14-15,18-19,21,29H,5-10,12-13,16-17,20H2,1-4H3,(H,31,32)