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

Systemtic Name: 4-[5-ethyl-4-[3-(hexylamino)phenyl]carbonyl-1-methyl-pyrrol-2-yl]butanoic acid Openeye Name: 4-[5-ethyl-4-[3-(hexylamino)benzoyl]-1-methyl-pyrrol-2-yl]butanoic acid CAS Name: 4-[5-ethyl-4-[[3-(hexylamino)phenyl]-oxomethyl]-1-methyl-2-pyrrolyl]butanoic acid IUPAC Name: 4-[5-ethyl-4-[3-(hexylamino)benzoyl]-1-methylpyrrol-2-yl]butanoic acid Traditional Name: 4-[5-ethyl-4-[3-(hexylamino)benzoyl]-1-methyl-pyrrol-2-yl]butyric acid Formula: C24H34N2O3 MolecularWeight: 398.53836

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC1=CC=CC(=C1)C(=O)C2=C(N(C(=C2)CCCC(=O)O)C)CC

Isomeric SMILES

CCCCCCNC1=CC=CC(=C1)C(=O)C2=C(N(C(=C2)CCCC(=O)O)C)CC

InChI

InChI=1S/C24H34N2O3/c1-4-6-7-8-15-25-19-12-9-11-18(16-19)24(29)21-17-20(13-10-14-23(27)28)26(3)22(21)5-2/h9,11-12,16-17,25H,4-8,10,13-15H2,1-3H3,(H,27,28)