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

Systemtic Name: 4-[5-ethyl-1-methyl-4-(3-octoxyphenyl)carbonyl-pyrrol-2-yl]butanoic acid Openeye Name: 4-[5-ethyl-1-methyl-4-(3-octoxybenzoyl)pyrrol-2-yl]butanoic acid CAS Name: 4-[5-ethyl-1-methyl-4-[(3-octoxyphenyl)-oxomethyl]-2-pyrrolyl]butanoic acid IUPAC Name: 4-[5-ethyl-1-methyl-4-(3-octoxybenzoyl)pyrrol-2-yl]butanoic acid Traditional Name: 4-[5-ethyl-1-methyl-4-(3-octoxybenzoyl)pyrrol-2-yl]butyric acid Formula: C26H37NO4 MolecularWeight: 427.57628

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=CC(=C1)C(=O)C2=C(N(C(=C2)CCCC(=O)O)C)CC

Isomeric SMILES

CCCCCCCCOC1=CC=CC(=C1)C(=O)C2=C(N(C(=C2)CCCC(=O)O)C)CC

InChI

InChI=1S/C26H37NO4/c1-4-6-7-8-9-10-17-31-22-15-11-13-20(18-22)26(30)23-19-21(14-12-16-25(28)29)27(3)24(23)5-2/h11,13,15,18-19H,4-10,12,14,16-17H2,1-3H3,(H,28,29)