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

Systemtic Name: 4-[4-[3-(butylamino)phenyl]carbonyl-5-ethyl-1-methyl-pyrrol-2-yl]butanoic acid Openeye Name: 4-[4-[3-(butylamino)benzoyl]-5-ethyl-1-methyl-pyrrol-2-yl]butanoic acid CAS Name: 4-[4-[[3-(butylamino)phenyl]-oxomethyl]-5-ethyl-1-methyl-2-pyrrolyl]butanoic acid IUPAC Name: 4-[4-[3-(butylamino)benzoyl]-5-ethyl-1-methylpyrrol-2-yl]butanoic acid Traditional Name: 4-[4-[3-(butylamino)benzoyl]-5-ethyl-1-methyl-pyrrol-2-yl]butyric acid Formula: C22H30N2O3 MolecularWeight: 370.4852

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=CC=CC(=C1)C(=O)C2=C(N(C(=C2)CCCC(=O)O)C)CC

Isomeric SMILES

CCCCNC1=CC=CC(=C1)C(=O)C2=C(N(C(=C2)CCCC(=O)O)C)CC

InChI

InChI=1S/C22H30N2O3/c1-4-6-13-23-17-10-7-9-16(14-17)22(27)19-15-18(11-8-12-21(25)26)24(3)20(19)5-2/h7,9-10,14-15,23H,4-6,8,11-13H2,1-3H3,(H,25,26)