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

Systemtic Name: 4-[5-ethyl-4-[3-(3-hexylnonylamino)phenyl]carbonyl-1-methyl-pyrrol-2-yl]butanoic acid Openeye Name: 4-[5-ethyl-4-[3-(3-hexylnonylamino)benzoyl]-1-methyl-pyrrol-2-yl]butanoic acid CAS Name: 4-[5-ethyl-4-[[3-(3-hexylnonylamino)phenyl]-oxomethyl]-1-methyl-2-pyrrolyl]butanoic acid IUPAC Name: 4-[5-ethyl-4-[3-(3-hexylnonylamino)benzoyl]-1-methylpyrrol-2-yl]butanoic acid Traditional Name: 4-[5-ethyl-4-[3-(3-hexylnonylamino)benzoyl]-1-methyl-pyrrol-2-yl]butyric acid Formula: C33H52N2O3 MolecularWeight: 524.77758

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CCCCCC)CCNC1=CC=CC(=C1)C(=O)C2=C(N(C(=C2)CCCC(=O)O)C)CC

Isomeric SMILES

CCCCCCC(CCCCCC)CCNC1=CC=CC(=C1)C(=O)C2=C(N(C(=C2)CCCC(=O)O)C)CC

InChI

InChI=1S/C33H52N2O3/c1-5-8-10-12-16-26(17-13-11-9-6-2)22-23-34-28-19-14-18-27(24-28)33(38)30-25-29(20-15-21-32(36)37)35(4)31(30)7-3/h14,18-19,24-26,34H,5-13,15-17,20-23H2,1-4H3,(H,36,37)