3-(1,3,5-trimethyl-4-octanoyl-pyrrol-2-yl)propanoic acid

Systemtic Name: 3-(1,3,5-trimethyl-4-octanoyl-pyrrol-2-yl)propanoic acid Openeye Name: 3-(1,3,5-trimethyl-4-octanoyl-pyrrol-2-yl)propanoic acid CAS Name: 3-[1,3,5-trimethyl-4-(1-oxooctyl)-2-pyrrolyl]propanoic acid IUPAC Name: 3-(1,3,5-trimethyl-4-octanoylpyrrol-2-yl)propanoic acid Traditional Name: 3-(4-caprylyl-1,3,5-trimethyl-pyrrol-2-yl)propionic acid Formula: C18H29NO3 MolecularWeight: 307.42776

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)C1=C(N(C(=C1C)CCC(=O)O)C)C

Isomeric SMILES

CCCCCCCC(=O)C1=C(N(C(=C1C)CCC(=O)O)C)C

InChI

InChI=1S/C18H29NO3/c1-5-6-7-8-9-10-16(20)18-13(2)15(11-12-17(21)22)19(4)14(18)3/h5-12H2,1-4H3,(H,21,22)