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

Systemtic Name: 4-[5-ethyl-4-[3-(heptylamino)phenyl]carbonyl-1-methyl-pyrrol-2-yl]butanoic acid Openeye Name: 4-[5-ethyl-4-[3-(heptylamino)benzoyl]-1-methyl-pyrrol-2-yl]butanoic acid CAS Name: 4-[5-ethyl-4-[[3-(heptylamino)phenyl]-oxomethyl]-1-methyl-2-pyrrolyl]butanoic acid IUPAC Name: 4-[5-ethyl-4-[3-(heptylamino)benzoyl]-1-methylpyrrol-2-yl]butanoic acid Traditional Name: 4-[5-ethyl-4-[3-(heptylamino)benzoyl]-1-methyl-pyrrol-2-yl]butyric acid Formula: C25H36N2O3 MolecularWeight: 412.56494

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCNC1=CC=CC(=C1)C(=O)C2=C(N(C(=C2)CCCC(=O)O)C)CC

Isomeric SMILES

CCCCCCCNC1=CC=CC(=C1)C(=O)C2=C(N(C(=C2)CCCC(=O)O)C)CC

InChI

InChI=1S/C25H36N2O3/c1-4-6-7-8-9-16-26-20-13-10-12-19(17-20)25(30)22-18-21(14-11-15-24(28)29)27(3)23(22)5-2/h10,12-13,17-18,26H,4-9,11,14-16H2,1-3H3,(H,28,29)