3-[2,4-dimethyl-5-(2-pyridin-4-ylethyl)-1H-pyrrol-3-yl]propanoic acid

Systemtic Name: 3-[2,4-dimethyl-5-(2-pyridin-4-ylethyl)-1H-pyrrol-3-yl]propanoic acid Openeye Name: 3-[2,4-dimethyl-5-[2-(4-pyridyl)ethyl]-1H-pyrrol-3-yl]propanoic acid CAS Name: 3-[2,4-dimethyl-5-(2-pyridin-4-ylethyl)-1H-pyrrol-3-yl]propanoic acid IUPAC Name: 3-[2,4-dimethyl-5-(2-pyridin-4-ylethyl)-1H-pyrrol-3-yl]propanoic acid Traditional Name: 3-[2,4-dimethyl-5-[2-(4-pyridyl)ethyl]-1H-pyrrol-3-yl]propionic acid Formula: C16H20N2O2 MolecularWeight: 272.3422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1CCC(=O)O)C)CCC2=CC=NC=C2

Isomeric SMILES

CC1=C(NC(=C1CCC(=O)O)C)CCC2=CC=NC=C2

InChI

InChI=1S/C16H20N2O2/c1-11-14(4-6-16(19)20)12(2)18-15(11)5-3-13-7-9-17-10-8-13/h7-10,18H,3-6H2,1-2H3,(H,19,20)